N-nonan-2-yl-N-propylnonan-2-amine

C21H45N — CID 134607063

IUPACN-nonan-2-yl-N-propylnonan-2-amine
SMILESCCCCCCCC(C)N(CCC)C(C)CCCCCCC
InChIInChI=1S/C21H45N/c1-6-9-11-13-15-17-20(4)22(19-8-3)21(5)18-16-14-12-10-7-2/h20-21H,6-19H2,1-5H3
InChIKeyHDEGRTWNKAGLPF-UHFFFAOYSA-N
MW311.60 g/mol
LogP7.20
Rot. Bonds16

About N-nonan-2-yl-N-propylnonan-2-amine

N-nonan-2-yl-N-propylnonan-2-amine (PubChem CID 134607063) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is N-nonan-2-yl-N-propylnonan-2-amine.

Molecular Properties

Compound NameN-nonan-2-yl-N-propylnonan-2-amine
PubChem CID134607063
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC NameN-nonan-2-yl-N-propylnonan-2-amine
SMILESCCCCCCCC(C)N(CCC)C(C)CCCCCCC
InChIInChI=1S/C21H45N/c1-6-9-11-13-15-17-20(4)22(19-8-3)21(5)18-16-14-12-10-7-2/h20-21H,6-19H2,1-5H3
InChIKeyHDEGRTWNKAGLPF-UHFFFAOYSA-N
XLogP7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-propylicosan-2-amine
CID 172693354
N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
N,N-di(nonadecan-2-yl)nonadecan-2-amine
CID 19594136
N,N-di(decan-2-yl)decan-2-amine;hydrobromide
CID 173437126
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N,N-dihydroxyoctadecan-2-amine
CID 19777704
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
N-icosan-2-yl-N-prop-2-enylicosan-2-amine;hydrochloride
CID 175193055
2-[di(heptadecan-2-yl)amino]acetic acid
CID 87864248
N-[[4-[[di(tridecan-2-yl)amino]methyl]phenyl]methyl]-N-tridecan-2-yltridecan-2-amine;dihydrochloride
CID 173275062
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070

Frequently Asked Questions

What is the IUPAC name of N-nonan-2-yl-N-propylnonan-2-amine?
The IUPAC name of N-nonan-2-yl-N-propylnonan-2-amine (CID 134607063) is N-nonan-2-yl-N-propylnonan-2-amine.
What is the SMILES notation for N-nonan-2-yl-N-propylnonan-2-amine?
The canonical SMILES for N-nonan-2-yl-N-propylnonan-2-amine is CCCCCCCC(C)N(CCC)C(C)CCCCCCC.
What is the InChIKey of N-nonan-2-yl-N-propylnonan-2-amine?
The InChIKey is HDEGRTWNKAGLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-6-9-11-13-15-17-20(4)22(19-8-3)21(5)18-16-14-12-10-7-2/h20-21H,6-19H2,1-5H3.
What are the key properties of N-nonan-2-yl-N-propylnonan-2-amine?
N-nonan-2-yl-N-propylnonan-2-amine has a molecular weight of 311.60 g/mol, XLogP of 7.20, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonan-2-yl-N-propylnonan-2-amine is sourced from PubChem (CID 134607063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).