2-methyloctane-1,2-diamine

C9H22N2 — CID 43519506

IUPAC2-methyloctane-1,2-diamine
SMILESCCCCCCC(C)(N)CN
InChIInChI=1S/C9H22N2/c1-3-4-5-6-7-9(2,11)8-10/h3-8,10-11H2,1-2H3
InChIKeyTYDDNYFWVPPEOV-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.63
Rot. Bonds6

About 2-methyloctane-1,2-diamine

2-methyloctane-1,2-diamine (PubChem CID 43519506) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-methyloctane-1,2-diamine.

Molecular Properties

Compound Name2-methyloctane-1,2-diamine
PubChem CID43519506
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-methyloctane-1,2-diamine
SMILESCCCCCCC(C)(N)CN
InChIInChI=1S/C9H22N2/c1-3-4-5-6-7-9(2,11)8-10/h3-8,10-11H2,1-2H3
InChIKeyTYDDNYFWVPPEOV-UHFFFAOYSA-N
XLogP1.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethyloctane-1,2,7,8-tetramine
CID 54453561
3-methyloctadecan-3-amine
CID 54058172
2-amino-2-methylhexadecan-1-ol
CID 87201246
2,2-dimethyloctan-1-amine
CID 62739423
2-octyldecane-1,2-diamine
CID 88831195
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
3-amino-3-methyloctan-1-ol
CID 80558733

Frequently Asked Questions

What is the IUPAC name of 2-methyloctane-1,2-diamine?
The IUPAC name of 2-methyloctane-1,2-diamine (CID 43519506) is 2-methyloctane-1,2-diamine.
What is the SMILES notation for 2-methyloctane-1,2-diamine?
The canonical SMILES for 2-methyloctane-1,2-diamine is CCCCCCC(C)(N)CN.
What is the InChIKey of 2-methyloctane-1,2-diamine?
The InChIKey is TYDDNYFWVPPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-3-4-5-6-7-9(2,11)8-10/h3-8,10-11H2,1-2H3.
What are the key properties of 2-methyloctane-1,2-diamine?
2-methyloctane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctane-1,2-diamine is sourced from PubChem (CID 43519506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).