N-hexylhexan-1-amine;methanamine

C13H32N2 — CID 22649908

IUPACN-hexylhexan-1-amine;methanamine
SMILESCCCCCCNCCCCCC.CN
InChIInChI=1S/C12H27N.CH5N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2/h13H,3-12H2,1-2H3;2H2,1H3
InChIKeyPJPHZODRNXHTQH-UHFFFAOYSA-N
MW216.41 g/mol
LogP3.31
Rot. Bonds10

About N-hexylhexan-1-amine;methanamine

N-hexylhexan-1-amine;methanamine (PubChem CID 22649908) has the molecular formula C13H32N2 and a molecular weight of 216.41 g/mol. Its IUPAC name is N-hexylhexan-1-amine;methanamine.

Molecular Properties

Compound NameN-hexylhexan-1-amine;methanamine
PubChem CID22649908
Molecular FormulaC13H32N2
Molecular Weight216.41 g/mol
Exact Mass216.26
IUPAC NameN-hexylhexan-1-amine;methanamine
SMILESCCCCCCNCCCCCC.CN
InChIInChI=1S/C12H27N.CH5N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2/h13H,3-12H2,1-2H3;2H2,1H3
InChIKeyPJPHZODRNXHTQH-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 53.31
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

N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-butyltetradecan-1-amine
CID 3548872
methane;N-octyloctan-1-amine
CID 87294693
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
N'-henicosylethane-1,2-diamine
CID 22930907

Frequently Asked Questions

What is the IUPAC name of N-hexylhexan-1-amine;methanamine?
The IUPAC name of N-hexylhexan-1-amine;methanamine (CID 22649908) is N-hexylhexan-1-amine;methanamine.
What is the SMILES notation for N-hexylhexan-1-amine;methanamine?
The canonical SMILES for N-hexylhexan-1-amine;methanamine is CCCCCCNCCCCCC.CN.
What is the InChIKey of N-hexylhexan-1-amine;methanamine?
The InChIKey is PJPHZODRNXHTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.CH5N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2/h13H,3-12H2,1-2H3;2H2,1H3.
What are the key properties of N-hexylhexan-1-amine;methanamine?
N-hexylhexan-1-amine;methanamine has a molecular weight of 216.41 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylhexan-1-amine;methanamine is sourced from PubChem (CID 22649908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).