N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine

C18H22N2 — CID 116545369

IUPACN-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCCc1cccc(-c2cncc(CNC3CC3)c2)c1
InChIInChI=1S/C18H22N2/c1-2-4-14-5-3-6-16(9-14)17-10-15(11-19-13-17)12-20-18-7-8-18/h3,5-6,9-11,13,18,20H,2,4,7-8,12H2,1H3
InChIKeyLKNMVTJBUCCOFX-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.95
Rot. Bonds6

About N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 116545369) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID116545369
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCCc1cccc(-c2cncc(CNC3CC3)c2)c1
InChIInChI=1S/C18H22N2/c1-2-4-14-5-3-6-16(9-14)17-10-15(11-19-13-17)12-20-18-7-8-18/h3,5-6,9-11,13,18,20H,2,4,7-8,12H2,1H3
InChIKeyLKNMVTJBUCCOFX-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888027
3-(3-propylphenyl)pyridine
CID 69055272
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469756
N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 107514144
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61239688
1-phenyl-3-propylbenzene
CID 4110465
5-[(cyclopropylamino)methyl]pyridin-3-amine
CID 117212683
N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 105395766
N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 114732262

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine (CID 116545369) is N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine is CCCc1cccc(-c2cncc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is LKNMVTJBUCCOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-4-14-5-3-6-16(9-14)17-10-15(11-19-13-17)12-20-18-7-8-18/h3,5-6,9-11,13,18,20H,2,4,7-8,12H2,1H3.
What are the key properties of N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 266.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 116545369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).