3,4-dimethyloctane-1,1-diamine

C10H24N2 — CID 156699535

IUPAC3,4-dimethyloctane-1,1-diamine
SMILESCCCCC(C)C(C)CC(N)N
InChIInChI=1S/C10H24N2/c1-4-5-6-8(2)9(3)7-10(11)12/h8-10H,4-7,11-12H2,1-3H3
InChIKeyHAKOYPAYOKBSLR-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.08
Rot. Bonds6

About 3,4-dimethyloctane-1,1-diamine

3,4-dimethyloctane-1,1-diamine (PubChem CID 156699535) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 3,4-dimethyloctane-1,1-diamine.

Molecular Properties

Compound Name3,4-dimethyloctane-1,1-diamine
PubChem CID156699535
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name3,4-dimethyloctane-1,1-diamine
SMILESCCCCC(C)C(C)CC(N)N
InChIInChI=1S/C10H24N2/c1-4-5-6-8(2)9(3)7-10(11)12/h8-10H,4-7,11-12H2,1-3H3
InChIKeyHAKOYPAYOKBSLR-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyloctane-1,1-diamine?
The IUPAC name of 3,4-dimethyloctane-1,1-diamine (CID 156699535) is 3,4-dimethyloctane-1,1-diamine.
What is the SMILES notation for 3,4-dimethyloctane-1,1-diamine?
The canonical SMILES for 3,4-dimethyloctane-1,1-diamine is CCCCC(C)C(C)CC(N)N.
What is the InChIKey of 3,4-dimethyloctane-1,1-diamine?
The InChIKey is HAKOYPAYOKBSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-5-6-8(2)9(3)7-10(11)12/h8-10H,4-7,11-12H2,1-3H3.
What are the key properties of 3,4-dimethyloctane-1,1-diamine?
3,4-dimethyloctane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyloctane-1,1-diamine is sourced from PubChem (CID 156699535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).