heptan-1-amine;N-nonylnonan-1-amine

C25H56N2 — CID 175163208

IUPACheptan-1-amine;N-nonylnonan-1-amine
SMILESCCCCCCCCCNCCCCCCCCC.CCCCCCCN
InChIInChI=1S/C18H39N.C7H17N/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8/h19H,3-18H2,1-2H3;2-8H2,1H3
InChIKeyLIOMBSFOVJDYHX-UHFFFAOYSA-N
MW384.74 g/mol
LogP7.99
Rot. Bonds21

About heptan-1-amine;N-nonylnonan-1-amine

heptan-1-amine;N-nonylnonan-1-amine (PubChem CID 175163208) has the molecular formula C25H56N2 and a molecular weight of 384.74 g/mol. Its IUPAC name is heptan-1-amine;N-nonylnonan-1-amine.

Molecular Properties

Compound Nameheptan-1-amine;N-nonylnonan-1-amine
PubChem CID175163208
Molecular FormulaC25H56N2
Molecular Weight384.74 g/mol
Exact Mass384.44
IUPAC Nameheptan-1-amine;N-nonylnonan-1-amine
SMILESCCCCCCCCCNCCCCCCCCC.CCCCCCCN
InChIInChI=1S/C18H39N.C7H17N/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8/h19H,3-18H2,1-2H3;2-8H2,1H3
InChIKeyLIOMBSFOVJDYHX-UHFFFAOYSA-N
XLogP7.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.74
LogP ≤ 57.99
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
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
N'-butyloctadecane-1,18-diamine
CID 19427141
ethane;N'-pentylbutane-1,4-diamine
CID 171066485
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-docosylethane-1,2-diamine
CID 18783196
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 heptan-1-amine;N-nonylnonan-1-amine?
The IUPAC name of heptan-1-amine;N-nonylnonan-1-amine (CID 175163208) is heptan-1-amine;N-nonylnonan-1-amine.
What is the SMILES notation for heptan-1-amine;N-nonylnonan-1-amine?
The canonical SMILES for heptan-1-amine;N-nonylnonan-1-amine is CCCCCCCCCNCCCCCCCCC.CCCCCCCN.
What is the InChIKey of heptan-1-amine;N-nonylnonan-1-amine?
The InChIKey is LIOMBSFOVJDYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C7H17N/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8/h19H,3-18H2,1-2H3;2-8H2,1H3.
What are the key properties of heptan-1-amine;N-nonylnonan-1-amine?
heptan-1-amine;N-nonylnonan-1-amine has a molecular weight of 384.74 g/mol, XLogP of 7.99, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-1-amine;N-nonylnonan-1-amine is sourced from PubChem (CID 175163208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).