N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine

C30H51N5 — CID 146227897

IUPACN-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine
SMILESC=C(CCCCCCCC)NCCCCCNC(=C)CCn1c(CN(C)NC)cc2ccccc21
InChIInChI=1S/C30H51N5/c1-6-7-8-9-10-12-17-26(2)32-21-15-11-16-22-33-27(3)20-23-35-29(25-34(5)31-4)24-28-18-13-14-19-30(28)35/h13-14,18-19,24,31-33H,2-3,6-12,15-17,20-23,25H2,1,4-5H3
InChIKeyJXUYWEFDNKWFSY-UHFFFAOYSA-N
MW481.77 g/mol
LogP6.73
Rot. Bonds21

About N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine

N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine (PubChem CID 146227897) has the molecular formula C30H51N5 and a molecular weight of 481.77 g/mol. Its IUPAC name is N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine.

Molecular Properties

Compound NameN-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine
PubChem CID146227897
Molecular FormulaC30H51N5
Molecular Weight481.77 g/mol
Exact Mass481.41
IUPAC NameN-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine
SMILESC=C(CCCCCCCC)NCCCCCNC(=C)CCn1c(CN(C)NC)cc2ccccc21
InChIInChI=1S/C30H51N5/c1-6-7-8-9-10-12-17-26(2)32-21-15-11-16-22-33-27(3)20-23-35-29(25-34(5)31-4)24-28-18-13-14-19-30(28)35/h13-14,18-19,24,31-33H,2-3,6-12,15-17,20-23,25H2,1,4-5H3
InChIKeyJXUYWEFDNKWFSY-UHFFFAOYSA-N
XLogP6.73
TPSA44.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.77
LogP ≤ 56.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
CID 118109462
4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one
CID 177057739
3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoic acid
CID 86718979
(4S)-4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-oxo-5-[2-[2-[2-(pentacosanoylamino)ethoxy]ethoxy]ethylamino]pentanoic acid
CID 155184065
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
CID 146535745
CID 174007402
CID 174007402
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
CID 146673229
(4S)-5-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-oxopentanoic acid
CID 118121238
N-hexyloct-1-en-2-amine
CID 169110016
1-nonyl-2-propylindole
CID 19869956
N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine
CID 137414411
(2R)-3-[2-[2-[2-[2-[3-[[1-[[(2S)-5-(carbamoylamino)-1-(methylamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-3-oxopropane-1-sulfonic acid
CID 146536105

Frequently Asked Questions

What is the IUPAC name of N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine?
The IUPAC name of N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine (CID 146227897) is N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine.
What is the SMILES notation for N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine?
The canonical SMILES for N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine is C=C(CCCCCCCC)NCCCCCNC(=C)CCn1c(CN(C)NC)cc2ccccc21.
What is the InChIKey of N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine?
The InChIKey is JXUYWEFDNKWFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N5/c1-6-7-8-9-10-12-17-26(2)32-21-15-11-16-22-33-27(3)20-23-35-29(25-34(5)31-4)24-28-18-13-14-19-30(28)35/h13-14,18-19,24,31-33H,2-3,6-12,15-17,20-23,25H2,1,4-5H3.
What are the key properties of N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine?
N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine has a molecular weight of 481.77 g/mol, XLogP of 6.73, 21 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine is sourced from PubChem (CID 146227897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).