N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine

C13H18N2 — CID 115757833

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
SMILESc1cncc(CNCC2(C3CC3)CC2)c1
InChIInChI=1S/C13H18N2/c1-2-11(8-14-7-1)9-15-10-13(5-6-13)12-3-4-12/h1-2,7-8,12,15H,3-6,9-10H2
InChIKeyCXMNOPSELWLCRS-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.36
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 115757833) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID115757833
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
SMILESc1cncc(CNCC2(C3CC3)CC2)c1
InChIInChI=1S/C13H18N2/c1-2-11(8-14-7-1)9-15-10-13(5-6-13)12-3-4-12/h1-2,7-8,12,15H,3-6,9-10H2
InChIKeyCXMNOPSELWLCRS-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 103735457
N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
CID 103838560
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-3-pyridinyl)methanamine
CID 115757819
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828
N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 97055666
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 115757772
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine
CID 71860476
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine (CID 115757833) is N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine is c1cncc(CNCC2(C3CC3)CC2)c1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is CXMNOPSELWLCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-11(8-14-7-1)9-15-10-13(5-6-13)12-3-4-12/h1-2,7-8,12,15H,3-6,9-10H2.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 115757833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).