6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine

C18H25N3 — CID 115939177

IUPAC6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine
SMILESCCC(N)c1ccc(N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C18H25N3/c1-4-17(19)18-11-10-16(12-20-18)21(14(2)3)13-15-8-6-5-7-9-15/h5-12,14,17H,4,13,19H2,1-3H3
InChIKeyYWRKIBLRTWRBEC-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.91
Rot. Bonds6

About 6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine

6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine (PubChem CID 115939177) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine
PubChem CID115939177
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine
SMILESCCC(N)c1ccc(N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C18H25N3/c1-4-17(19)18-11-10-16(12-20-18)21(14(2)3)13-15-8-6-5-7-9-15/h5-12,14,17H,4,13,19H2,1-3H3
InChIKeyYWRKIBLRTWRBEC-UHFFFAOYSA-N
XLogP3.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-aminopropyl)-N-ethyl-N-phenylpyridin-3-amine
CID 112584084
2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189419
6-(1-aminopropyl)-N,N-diethylpyridin-3-amine
CID 112584036
6-[(1S)-1-aminopropyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 103937054
6-(1-aminopropyl)-N,N-bis(2-methylpropyl)pyridin-3-amine
CID 112584255
4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline
CID 43188769
6-[(1R)-1-aminopropyl]-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 103937134
6-[(1R)-1-aminopropyl]-N-butyl-N-phenylpyridin-3-amine
CID 103937433
5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181465
6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine
CID 103937072
6-[(1S)-1-aminopropyl]-N-methyl-N-propylpyridin-3-amine
CID 103936975
6-[(1R)-1-aminopropyl]-N,N-dibutylpyridin-3-amine
CID 103936956

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine (CID 115939177) is 6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine is CCC(N)c1ccc(N(Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of 6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine?
The InChIKey is YWRKIBLRTWRBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-17(19)18-11-10-16(12-20-18)21(14(2)3)13-15-8-6-5-7-9-15/h5-12,14,17H,4,13,19H2,1-3H3.
What are the key properties of 6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine?
6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine has a molecular weight of 283.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 115939177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).