N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine

C9H23N3 — CID 91266998

IUPACN-(aminomethyl)-2,3-dimethylhexane-1,6-diamine
SMILESCC(CCCN)C(C)CNCN
InChIInChI=1S/C9H23N3/c1-8(4-3-5-10)9(2)6-12-7-11/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyUVFVAUHOEQDQKP-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.50
Rot. Bonds7

About N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine

N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine (PubChem CID 91266998) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN-(aminomethyl)-2,3-dimethylhexane-1,6-diamine
PubChem CID91266998
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC NameN-(aminomethyl)-2,3-dimethylhexane-1,6-diamine
SMILESCC(CCCN)C(C)CNCN
InChIInChI=1S/C9H23N3/c1-8(4-3-5-10)9(2)6-12-7-11/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyUVFVAUHOEQDQKP-UHFFFAOYSA-N
XLogP0.50
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine?
The IUPAC name of N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine (CID 91266998) is N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine.
What is the SMILES notation for N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine?
The canonical SMILES for N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine is CC(CCCN)C(C)CNCN.
What is the InChIKey of N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine?
The InChIKey is UVFVAUHOEQDQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-8(4-3-5-10)9(2)6-12-7-11/h8-9,12H,3-7,10-11H2,1-2H3.
What are the key properties of N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine?
N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-2,3-dimethylhexane-1,6-diamine is sourced from PubChem (CID 91266998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).