N-hexylhexan-1-amine;N-methylmethanamine

C14H34N2 — CID 157403903

IUPACN-hexylhexan-1-amine;N-methylmethanamine
SMILESCCCCCCNCCCCCC.CNC
InChIInChI=1S/C12H27N.C2H7N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-2/h13H,3-12H2,1-2H3;3H,1-2H3
InChIKeyBNMKBPLKUGMXPB-UHFFFAOYSA-N
MW230.44 g/mol
LogP3.57
Rot. Bonds10

About N-hexylhexan-1-amine;N-methylmethanamine

N-hexylhexan-1-amine;N-methylmethanamine (PubChem CID 157403903) has the molecular formula C14H34N2 and a molecular weight of 230.44 g/mol. Its IUPAC name is N-hexylhexan-1-amine;N-methylmethanamine.

Molecular Properties

Compound NameN-hexylhexan-1-amine;N-methylmethanamine
PubChem CID157403903
Molecular FormulaC14H34N2
Molecular Weight230.44 g/mol
Exact Mass230.27
IUPAC NameN-hexylhexan-1-amine;N-methylmethanamine
SMILESCCCCCCNCCCCCC.CNC
InChIInChI=1S/C12H27N.C2H7N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-2/h13H,3-12H2,1-2H3;3H,1-2H3
InChIKeyBNMKBPLKUGMXPB-UHFFFAOYSA-N
XLogP3.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 53.57
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
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
sulfanium;N-decyldecan-1-amine;chloride
CID 158756952

Frequently Asked Questions

What is the IUPAC name of N-hexylhexan-1-amine;N-methylmethanamine?
The IUPAC name of N-hexylhexan-1-amine;N-methylmethanamine (CID 157403903) is N-hexylhexan-1-amine;N-methylmethanamine.
What is the SMILES notation for N-hexylhexan-1-amine;N-methylmethanamine?
The canonical SMILES for N-hexylhexan-1-amine;N-methylmethanamine is CCCCCCNCCCCCC.CNC.
What is the InChIKey of N-hexylhexan-1-amine;N-methylmethanamine?
The InChIKey is BNMKBPLKUGMXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C2H7N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-2/h13H,3-12H2,1-2H3;3H,1-2H3.
What are the key properties of N-hexylhexan-1-amine;N-methylmethanamine?
N-hexylhexan-1-amine;N-methylmethanamine has a molecular weight of 230.44 g/mol, XLogP of 3.57, 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;N-methylmethanamine is sourced from PubChem (CID 157403903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).