3,7-dimethyloctane-1,7-diamine

C10H24N2 — CID 14008169

IUPAC3,7-dimethyloctane-1,7-diamine
SMILESCC(CCN)CCCC(C)(C)N
InChIInChI=1S/C10H24N2/c1-9(6-8-11)5-4-7-10(2,3)12/h9H,4-8,11-12H2,1-3H3
InChIKeyNTKSOQFMMSKDFG-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.88
Rot. Bonds6

About 3,7-dimethyloctane-1,7-diamine

3,7-dimethyloctane-1,7-diamine (PubChem CID 14008169) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 3,7-dimethyloctane-1,7-diamine.

Molecular Properties

Compound Name3,7-dimethyloctane-1,7-diamine
PubChem CID14008169
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name3,7-dimethyloctane-1,7-diamine
SMILESCC(CCN)CCCC(C)(C)N
InChIInChI=1S/C10H24N2/c1-9(6-8-11)5-4-7-10(2,3)12/h9H,4-8,11-12H2,1-3H3
InChIKeyNTKSOQFMMSKDFG-UHFFFAOYSA-N
XLogP1.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctane-1,7-diamine?
The IUPAC name of 3,7-dimethyloctane-1,7-diamine (CID 14008169) is 3,7-dimethyloctane-1,7-diamine.
What is the SMILES notation for 3,7-dimethyloctane-1,7-diamine?
The canonical SMILES for 3,7-dimethyloctane-1,7-diamine is CC(CCN)CCCC(C)(C)N.
What is the InChIKey of 3,7-dimethyloctane-1,7-diamine?
The InChIKey is NTKSOQFMMSKDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-9(6-8-11)5-4-7-10(2,3)12/h9H,4-8,11-12H2,1-3H3.
What are the key properties of 3,7-dimethyloctane-1,7-diamine?
3,7-dimethyloctane-1,7-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloctane-1,7-diamine is sourced from PubChem (CID 14008169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).