hexan-1-amine;N-hexylhexan-1-amine

C18H42N2 — CID 118077352

IUPAChexan-1-amine;N-hexylhexan-1-amine
SMILESCCCCCCN.CCCCCCNCCCCCC
InChIInChI=1S/C12H27N.C6H15N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-3-4-5-6-7/h13H,3-12H2,1-2H3;2-7H2,1H3
InChIKeyGHZATLSRMKLWBX-UHFFFAOYSA-N
MW286.55 g/mol
LogP5.26
Rot. Bonds14

About hexan-1-amine;N-hexylhexan-1-amine

hexan-1-amine;N-hexylhexan-1-amine (PubChem CID 118077352) has the molecular formula C18H42N2 and a molecular weight of 286.55 g/mol. Its IUPAC name is hexan-1-amine;N-hexylhexan-1-amine.

Molecular Properties

Compound Namehexan-1-amine;N-hexylhexan-1-amine
PubChem CID118077352
Molecular FormulaC18H42N2
Molecular Weight286.55 g/mol
Exact Mass286.33
IUPAC Namehexan-1-amine;N-hexylhexan-1-amine
SMILESCCCCCCN.CCCCCCNCCCCCC
InChIInChI=1S/C12H27N.C6H15N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-3-4-5-6-7/h13H,3-12H2,1-2H3;2-7H2,1H3
InChIKeyGHZATLSRMKLWBX-UHFFFAOYSA-N
XLogP5.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.55
LogP ≤ 55.26
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'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
N'-butyloctadecane-1,18-diamine
CID 19427141
ethane;N'-pentylbutane-1,4-diamine
CID 171066485
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-docosylethane-1,2-diamine
CID 18783196
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-henicosylethane-1,2-diamine
CID 22930907
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371

Frequently Asked Questions

What is the IUPAC name of hexan-1-amine;N-hexylhexan-1-amine?
The IUPAC name of hexan-1-amine;N-hexylhexan-1-amine (CID 118077352) is hexan-1-amine;N-hexylhexan-1-amine.
What is the SMILES notation for hexan-1-amine;N-hexylhexan-1-amine?
The canonical SMILES for hexan-1-amine;N-hexylhexan-1-amine is CCCCCCN.CCCCCCNCCCCCC.
What is the InChIKey of hexan-1-amine;N-hexylhexan-1-amine?
The InChIKey is GHZATLSRMKLWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C6H15N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-3-4-5-6-7/h13H,3-12H2,1-2H3;2-7H2,1H3.
What are the key properties of hexan-1-amine;N-hexylhexan-1-amine?
hexan-1-amine;N-hexylhexan-1-amine has a molecular weight of 286.55 g/mol, XLogP of 5.26, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-amine;N-hexylhexan-1-amine is sourced from PubChem (CID 118077352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).