N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine

C22H52N6 — CID 87383613

IUPACN,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
SMILESNCCCN(CCCN)CCCCCCCCCCN(CCCN)CCCN
InChIInChI=1S/C22H52N6/c23-13-9-19-27(20-10-14-24)17-7-5-3-1-2-4-6-8-18-28(21-11-15-25)22-12-16-26/h1-26H2
InChIKeyIVGCCEVCWCEGAS-UHFFFAOYSA-N
MW400.70 g/mol
LogP2.11
Rot. Bonds23

About N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine

N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine (PubChem CID 87383613) has the molecular formula C22H52N6 and a molecular weight of 400.70 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
PubChem CID87383613
Molecular FormulaC22H52N6
Molecular Weight400.70 g/mol
Exact Mass400.43
IUPAC NameN,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
SMILESNCCCN(CCCN)CCCCCCCCCCN(CCCN)CCCN
InChIInChI=1S/C22H52N6/c23-13-9-19-27(20-10-14-24)17-7-5-3-1-2-4-6-8-18-28(21-11-15-25)22-12-16-26/h1-26H2
InChIKeyIVGCCEVCWCEGAS-UHFFFAOYSA-N
XLogP2.11
TPSA110.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.70
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(3-aminopropyl)-N'-[3-[bis(3-aminopropyl)amino]propyl]-N'-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]butane-1,4-diamine
CID 118403322
N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine
CID 158129365
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
N-(7-aminoheptyl)-N'-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]-N'-[3-[bis(7-aminoheptyl)amino]propyl]undecane-1,11-diamine
CID 58309879

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine?
The IUPAC name of N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine (CID 87383613) is N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine is NCCCN(CCCN)CCCCCCCCCCN(CCCN)CCCN.
What is the InChIKey of N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine?
The InChIKey is IVGCCEVCWCEGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H52N6/c23-13-9-19-27(20-10-14-24)17-7-5-3-1-2-4-6-8-18-28(21-11-15-25)22-12-16-26/h1-26H2.
What are the key properties of N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine?
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine has a molecular weight of 400.70 g/mol, XLogP of 2.11, 23 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine is sourced from PubChem (CID 87383613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).