5-[(cyclopropylamino)methyl]pyridin-3-amine

C9H13N3 — CID 117212683

IUPAC5-[(cyclopropylamino)methyl]pyridin-3-amine
SMILESNc1cncc(CNC2CC2)c1
InChIInChI=1S/C9H13N3/c10-8-3-7(4-11-6-8)5-12-9-1-2-9/h3-4,6,9,12H,1-2,5,10H2
InChIKeyBDKWAFOQNMSRCC-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.92
Rot. Bonds3

About 5-[(cyclopropylamino)methyl]pyridin-3-amine

5-[(cyclopropylamino)methyl]pyridin-3-amine (PubChem CID 117212683) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]pyridin-3-amine
PubChem CID117212683
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-[(cyclopropylamino)methyl]pyridin-3-amine
SMILESNc1cncc(CNC2CC2)c1
InChIInChI=1S/C9H13N3/c10-8-3-7(4-11-6-8)5-12-9-1-2-9/h3-4,6,9,12H,1-2,5,10H2
InChIKeyBDKWAFOQNMSRCC-UHFFFAOYSA-N
XLogP0.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine
CID 113469745
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine
CID 103864382
N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 113469541
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 116545369
N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 107514144
N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 105395766
4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 62758802
N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 114732262
N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 106943333
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 113455948
1-methyl-N-[(5-methyl-3-pyridinyl)methyl]azetidin-3-amine
CID 130908640

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]pyridin-3-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]pyridin-3-amine (CID 117212683) is 5-[(cyclopropylamino)methyl]pyridin-3-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]pyridin-3-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]pyridin-3-amine is Nc1cncc(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]pyridin-3-amine?
The InChIKey is BDKWAFOQNMSRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-8-3-7(4-11-6-8)5-12-9-1-2-9/h3-4,6,9,12H,1-2,5,10H2.
What are the key properties of 5-[(cyclopropylamino)methyl]pyridin-3-amine?
5-[(cyclopropylamino)methyl]pyridin-3-amine has a molecular weight of 163.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 117212683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).