N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide

C14H29N5O — CID 167270444

IUPACN-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide
SMILESC=C(N)C(CCC)NC(=C)C(NC)NC(=O)C(C)NC
InChIInChI=1S/C14H29N5O/c1-7-8-12(9(2)15)18-10(3)13(17-6)19-14(20)11(4)16-5/h11-13,16-18H,2-3,7-8,15H2,1,4-6H3,(H,19,20)
InChIKeyFYPPEZBWLUHOGJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.00
Rot. Bonds10

About N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide

N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide (PubChem CID 167270444) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide
PubChem CID167270444
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC NameN-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide
SMILESC=C(N)C(CCC)NC(=C)C(NC)NC(=O)C(C)NC
InChIInChI=1S/C14H29N5O/c1-7-8-12(9(2)15)18-10(3)13(17-6)19-14(20)11(4)16-5/h11-13,16-18H,2-3,7-8,15H2,1,4-6H3,(H,19,20)
InChIKeyFYPPEZBWLUHOGJ-UHFFFAOYSA-N
XLogP0.00
TPSA91.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
(4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide
CID 166777670
(2S)-2-(methylamino)-N-[(2S,5S)-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,6-dioxo-1,6-dipyrrolidin-1-ylhexan-2-yl]pentanamide
CID 71159117
(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoic acid
CID 139904392
2-methyl-N-propan-2-ylpentanamide
CID 4628268
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
ethane;3-methyl-2-methylidenehexanamide
CID 145466339
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
2-methylpentanehydrazide
CID 43183484

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide?
The IUPAC name of N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide (CID 167270444) is N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide is C=C(N)C(CCC)NC(=C)C(NC)NC(=O)C(C)NC.
What is the InChIKey of N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide?
The InChIKey is FYPPEZBWLUHOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-7-8-12(9(2)15)18-10(3)13(17-6)19-14(20)11(4)16-5/h11-13,16-18H,2-3,7-8,15H2,1,4-6H3,(H,19,20).
What are the key properties of N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide?
N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide has a molecular weight of 283.42 g/mol, XLogP of 0.00, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminohex-1-en-3-ylamino)-1-(methylamino)prop-2-enyl]-2-(methylamino)propanamide is sourced from PubChem (CID 167270444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).