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

C12H30N4 — CID 123601298

IUPAC1-N'-(6-aminohexyl)hexane-1,1,6-triamine
SMILESNCCCCCCNC(N)CCCCCN
InChIInChI=1S/C12H30N4/c13-9-5-1-2-7-11-16-12(15)8-4-3-6-10-14/h12,16H,1-11,13-15H2
InChIKeySIUBRHUEEAOVQP-UHFFFAOYSA-N
MW230.40 g/mol
LogP0.90
Rot. Bonds12

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

1-N'-(6-aminohexyl)hexane-1,1,6-triamine (PubChem CID 123601298) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N'-(6-aminohexyl)hexane-1,1,6-triamine.

Molecular Properties

Compound Name1-N'-(6-aminohexyl)hexane-1,1,6-triamine
PubChem CID123601298
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Name1-N'-(6-aminohexyl)hexane-1,1,6-triamine
SMILESNCCCCCCNC(N)CCCCCN
InChIInChI=1S/C12H30N4/c13-9-5-1-2-7-11-16-12(15)8-4-3-6-10-14/h12,16H,1-11,13-15H2
InChIKeySIUBRHUEEAOVQP-UHFFFAOYSA-N
XLogP0.90
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-amino-7-(3-aminopropylamino)heptanoate
CID 88634867
N'-(1-aminoethyl)butane-1,4-diamine
CID 21119792
N'-propan-2-yloctane-1,8-diamine
CID 138605826
pentacosane-1,13,25-triamine
CID 174653759
N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
octane-1,4,8-triamine
CID 18544198
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
octane-1,8-diamine;hydroiodide
CID 166637894
1-N'-decylethane-1,1,2-triamine
CID 57125344
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594

Frequently Asked Questions

What is the IUPAC name of 1-N'-(6-aminohexyl)hexane-1,1,6-triamine?
The IUPAC name of 1-N'-(6-aminohexyl)hexane-1,1,6-triamine (CID 123601298) is 1-N'-(6-aminohexyl)hexane-1,1,6-triamine.
What is the SMILES notation for 1-N'-(6-aminohexyl)hexane-1,1,6-triamine?
The canonical SMILES for 1-N'-(6-aminohexyl)hexane-1,1,6-triamine is NCCCCCCNC(N)CCCCCN.
What is the InChIKey of 1-N'-(6-aminohexyl)hexane-1,1,6-triamine?
The InChIKey is SIUBRHUEEAOVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c13-9-5-1-2-7-11-16-12(15)8-4-3-6-10-14/h12,16H,1-11,13-15H2.
What are the key properties of 1-N'-(6-aminohexyl)hexane-1,1,6-triamine?
1-N'-(6-aminohexyl)hexane-1,1,6-triamine has a molecular weight of 230.40 g/mol, XLogP of 0.90, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(6-aminohexyl)hexane-1,1,6-triamine is sourced from PubChem (CID 123601298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).