4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline

C17H21N3 — CID 115913060

IUPAC4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline
SMILESCN(Cc1ccccn1)CC1(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H21N3/c1-20(12-16-4-2-3-11-19-16)13-17(9-10-17)14-5-7-15(18)8-6-14/h2-8,11H,9-10,12-13,18H2,1H3
InChIKeyNXIFUFIGGKDFIA-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.83
Rot. Bonds5

About 4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline

4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline (PubChem CID 115913060) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline
PubChem CID115913060
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline
SMILESCN(Cc1ccccn1)CC1(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H21N3/c1-20(12-16-4-2-3-11-19-16)13-17(9-10-17)14-5-7-15(18)8-6-14/h2-8,11H,9-10,12-13,18H2,1H3
InChIKeyNXIFUFIGGKDFIA-UHFFFAOYSA-N
XLogP2.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline
CID 115913301
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 43565091
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 62390958
4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline
CID 115913057
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-pyridin-2-ylmethanamine
CID 115246245
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 46967234
1-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677728
3-methyl-1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64554250
5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904382

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline (CID 115913060) is 4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline is CN(Cc1ccccn1)CC1(c2ccc(N)cc2)CC1.
What is the InChIKey of 4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline?
The InChIKey is NXIFUFIGGKDFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-20(12-16-4-2-3-11-19-16)13-17(9-10-17)14-5-7-15(18)8-6-14/h2-8,11H,9-10,12-13,18H2,1H3.
What are the key properties of 4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline?
4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline has a molecular weight of 267.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline is sourced from PubChem (CID 115913060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).