N-hexylhexan-1-amine;propan-1-amine

C15H36N2 — CID 87675299

IUPACN-hexylhexan-1-amine;propan-1-amine
SMILESCCCCCCNCCCCCC.CCCN
InChIInChI=1S/C12H27N.C3H9N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-3-4/h13H,3-12H2,1-2H3;2-4H2,1H3
InChIKeyIYUPDYNBAHVBCA-UHFFFAOYSA-N
MW244.47 g/mol
LogP4.09
Rot. Bonds11

About N-hexylhexan-1-amine;propan-1-amine

N-hexylhexan-1-amine;propan-1-amine (PubChem CID 87675299) has the molecular formula C15H36N2 and a molecular weight of 244.47 g/mol. Its IUPAC name is N-hexylhexan-1-amine;propan-1-amine.

Molecular Properties

Compound NameN-hexylhexan-1-amine;propan-1-amine
PubChem CID87675299
Molecular FormulaC15H36N2
Molecular Weight244.47 g/mol
Exact Mass244.29
IUPAC NameN-hexylhexan-1-amine;propan-1-amine
SMILESCCCCCCNCCCCCC.CCCN
InChIInChI=1S/C12H27N.C3H9N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-3-4/h13H,3-12H2,1-2H3;2-4H2,1H3
InChIKeyIYUPDYNBAHVBCA-UHFFFAOYSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.47
LogP ≤ 54.09
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'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N-hexylhexan-1-amine;methanamine
CID 22649908
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of N-hexylhexan-1-amine;propan-1-amine?
The IUPAC name of N-hexylhexan-1-amine;propan-1-amine (CID 87675299) is N-hexylhexan-1-amine;propan-1-amine.
What is the SMILES notation for N-hexylhexan-1-amine;propan-1-amine?
The canonical SMILES for N-hexylhexan-1-amine;propan-1-amine is CCCCCCNCCCCCC.CCCN.
What is the InChIKey of N-hexylhexan-1-amine;propan-1-amine?
The InChIKey is IYUPDYNBAHVBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C3H9N/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-3-4/h13H,3-12H2,1-2H3;2-4H2,1H3.
What are the key properties of N-hexylhexan-1-amine;propan-1-amine?
N-hexylhexan-1-amine;propan-1-amine has a molecular weight of 244.47 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylhexan-1-amine;propan-1-amine is sourced from PubChem (CID 87675299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).