molecular hydrogen;N-propan-2-ylnonan-1-amine

C12H29N — CID 166461486

IUPACmolecular hydrogen;N-propan-2-ylnonan-1-amine
SMILESCCCCCCCCCNC(C)C.[H][H]
InChIInChI=1S/C12H27N.H2/c1-4-5-6-7-8-9-10-11-13-12(2)3;/h12-13H,4-11H2,1-3H3;1H
InChIKeyAYBCNYMJKSSDRQ-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.98
Rot. Bonds9

About molecular hydrogen;N-propan-2-ylnonan-1-amine

molecular hydrogen;N-propan-2-ylnonan-1-amine (PubChem CID 166461486) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is molecular hydrogen;N-propan-2-ylnonan-1-amine.

Molecular Properties

Compound Namemolecular hydrogen;N-propan-2-ylnonan-1-amine
PubChem CID166461486
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Namemolecular hydrogen;N-propan-2-ylnonan-1-amine
SMILESCCCCCCCCCNC(C)C.[H][H]
InChIInChI=1S/C12H27N.H2/c1-4-5-6-7-8-9-10-11-13-12(2)3;/h12-13H,4-11H2,1-3H3;1H
InChIKeyAYBCNYMJKSSDRQ-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.98
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
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
octadecanoic acid;N-propan-2-ylpentadecan-1-amine
CID 174971030
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
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721
1-N'-nonylethane-1,1-diamine
CID 141374358
N-butan-2-yldodecan-1-amine
CID 63489622
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-propan-2-ylnonan-1-amine?
The IUPAC name of molecular hydrogen;N-propan-2-ylnonan-1-amine (CID 166461486) is molecular hydrogen;N-propan-2-ylnonan-1-amine.
What is the SMILES notation for molecular hydrogen;N-propan-2-ylnonan-1-amine?
The canonical SMILES for molecular hydrogen;N-propan-2-ylnonan-1-amine is CCCCCCCCCNC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;N-propan-2-ylnonan-1-amine?
The InChIKey is AYBCNYMJKSSDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.H2/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 molecular hydrogen;N-propan-2-ylnonan-1-amine?
molecular hydrogen;N-propan-2-ylnonan-1-amine has a molecular weight of 187.37 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-propan-2-ylnonan-1-amine is sourced from PubChem (CID 166461486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).