2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine

C12H28N2 — CID 102401711

IUPAC2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine
SMILESCCCCCCNC(CC)CN(C)C
InChIInChI=1S/C12H28N2/c1-5-7-8-9-10-13-12(6-2)11-14(3)4/h12-13H,5-11H2,1-4H3
InChIKeyQYUFIRDFNUOBGC-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds9

About 2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine

2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine (PubChem CID 102401711) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine
PubChem CID102401711
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine
SMILESCCCCCCNC(CC)CN(C)C
InChIInChI=1S/C12H28N2/c1-5-7-8-9-10-13-12(6-2)11-14(3)4/h12-13H,5-11H2,1-4H3
InChIKeyQYUFIRDFNUOBGC-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-N,1-N,2-N-tris[(Z)-octadec-9-enyl]butane-1,2-diamine
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(2S)-2-(pentylamino)butan-1-ol
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2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine (CID 102401711) is 2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine is CCCCCCNC(CC)CN(C)C.
What is the InChIKey of 2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine?
The InChIKey is QYUFIRDFNUOBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-7-8-9-10-13-12(6-2)11-14(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine?
2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 102401711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).