N-propan-2-ylnonan-1-amine;hydrochloride

C12H28ClN — CID 172836169

IUPACN-propan-2-ylnonan-1-amine;hydrochloride
SMILESCCCCCCCCCNC(C)C.Cl
InChIInChI=1S/C12H27N.ClH/c1-4-5-6-7-8-9-10-11-13-12(2)3;/h12-13H,4-11H2,1-3H3;1H
InChIKeyWEHSOEIMAPRYOZ-UHFFFAOYSA-N
MW221.82 g/mol
LogP4.16
Rot. Bonds9

About N-propan-2-ylnonan-1-amine;hydrochloride

N-propan-2-ylnonan-1-amine;hydrochloride (PubChem CID 172836169) has the molecular formula C12H28ClN and a molecular weight of 221.82 g/mol. Its IUPAC name is N-propan-2-ylnonan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-propan-2-ylnonan-1-amine;hydrochloride
PubChem CID172836169
Molecular FormulaC12H28ClN
Molecular Weight221.82 g/mol
Exact Mass221.19
IUPAC NameN-propan-2-ylnonan-1-amine;hydrochloride
SMILESCCCCCCCCCNC(C)C.Cl
InChIInChI=1S/C12H27N.ClH/c1-4-5-6-7-8-9-10-11-13-12(2)3;/h12-13H,4-11H2,1-3H3;1H
InChIKeyWEHSOEIMAPRYOZ-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-ylicosan-1-amine
CID 87246132
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
N-propan-2-ylbutan-1-amine chloride
CID 19629099
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
CID 21412290
octadecanoic acid;N-propan-2-ylpentadecan-1-amine
CID 174971030
1-N'-nonylethane-1,1-diamine
CID 141374358
N-butan-2-yldodecan-1-amine
CID 63489622
(1S)-1-(hexylamino)ethanethiol
CID 142113099
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
N-butan-2-ylundecan-1-amine
CID 151961423

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylnonan-1-amine;hydrochloride?
The IUPAC name of N-propan-2-ylnonan-1-amine;hydrochloride (CID 172836169) is N-propan-2-ylnonan-1-amine;hydrochloride.
What is the SMILES notation for N-propan-2-ylnonan-1-amine;hydrochloride?
The canonical SMILES for N-propan-2-ylnonan-1-amine;hydrochloride is CCCCCCCCCNC(C)C.Cl.
What is the InChIKey of N-propan-2-ylnonan-1-amine;hydrochloride?
The InChIKey is WEHSOEIMAPRYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.ClH/c1-4-5-6-7-8-9-10-11-13-12(2)3;/h12-13H,4-11H2,1-3H3;1H.
What are the key properties of N-propan-2-ylnonan-1-amine;hydrochloride?
N-propan-2-ylnonan-1-amine;hydrochloride has a molecular weight of 221.82 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylnonan-1-amine;hydrochloride is sourced from PubChem (CID 172836169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).