N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine

C18H31N3 — CID 43676446

IUPACN-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCCCCCCCC(C)Nc1cccnc1N1CCCC1
InChIInChI=1S/C18H31N3/c1-3-4-5-6-7-11-16(2)20-17-12-10-13-19-18(17)21-14-8-9-15-21/h10,12-13,16,20H,3-9,11,14-15H2,1-2H3
InChIKeyMCLQNSBAJBOZGM-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.84
Rot. Bonds9

About N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine

N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 43676446) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID43676446
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCCCCCCCC(C)Nc1cccnc1N1CCCC1
InChIInChI=1S/C18H31N3/c1-3-4-5-6-7-11-16(2)20-17-12-10-13-19-18(17)21-14-8-9-15-21/h10,12-13,16,20H,3-9,11,14-15H2,1-2H3
InChIKeyMCLQNSBAJBOZGM-UHFFFAOYSA-N
XLogP4.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 115922139
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
N-(1-cyclobutylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 115922136
2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol
CID 65338174
N-heptan-2-yl-2-nitropyridin-3-amine
CID 112686460
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406
N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43779579
N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 54881297
2-bromo-N-nonan-2-ylaniline
CID 43129843
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
6-N-heptan-2-ylquinoline-5,6-diamine
CID 61464313
2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897

Frequently Asked Questions

What is the IUPAC name of N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine (CID 43676446) is N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine is CCCCCCCC(C)Nc1cccnc1N1CCCC1.
What is the InChIKey of N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is MCLQNSBAJBOZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-4-5-6-7-11-16(2)20-17-12-10-13-19-18(17)21-14-8-9-15-21/h10,12-13,16,20H,3-9,11,14-15H2,1-2H3.
What are the key properties of N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine?
N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 43676446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).