N'-(6-aminohexyl)hexane-1,6-diamine

C12H29N3 — CID 8924

IUPACN'-(6-aminohexyl)hexane-1,6-diamine
SMILESNCCCCCCNCCCCCCN
InChIInChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
InChIKeyMRNZSTMRDWRNNR-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.61
Rot. Bonds12

About N'-(6-aminohexyl)hexane-1,6-diamine

N'-(6-aminohexyl)hexane-1,6-diamine (PubChem CID 8924) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-(6-aminohexyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(6-aminohexyl)hexane-1,6-diamine
PubChem CID8924
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-(6-aminohexyl)hexane-1,6-diamine
SMILESNCCCCCCNCCCCCCN
InChIInChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
InChIKeyMRNZSTMRDWRNNR-UHFFFAOYSA-N
XLogP1.61
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dipentylamine
CID 16316
N1-(4-Aminobutyl)-1,4-butanediamine
CID 368
Dihexylamine
CID 8920
Bis(8-aminooctyl)amine
CID 10199351
(3-Aminopropyl)cadaverine
CID 65523
N,N'-Dibutyl-1,6-hexanediamine
CID 20972
N-Cyclohexyl-1,3-propanediamine
CID 18718
Diheptylamine
CID 75580
Aminobutylhomospermidine
CID 6452022
N-Methylhexylamine
CID 37079
N-Methylheptylamine
CID 93190
Lauraminopropylamine
CID 79670

Frequently Asked Questions

What is the IUPAC name of N'-(6-aminohexyl)hexane-1,6-diamine?
The IUPAC name of N'-(6-aminohexyl)hexane-1,6-diamine (CID 8924) is N'-(6-aminohexyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(6-aminohexyl)hexane-1,6-diamine?
The canonical SMILES for N'-(6-aminohexyl)hexane-1,6-diamine is NCCCCCCNCCCCCCN.
What is the InChIKey of N'-(6-aminohexyl)hexane-1,6-diamine?
The InChIKey is MRNZSTMRDWRNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2.
What are the key properties of N'-(6-aminohexyl)hexane-1,6-diamine?
N'-(6-aminohexyl)hexane-1,6-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.61, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-aminohexyl)hexane-1,6-diamine is sourced from PubChem (CID 8924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).