4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline

C18H23N3 — CID 115913301

IUPAC4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline
SMILESCc1cccc(CN(C)CC2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C18H23N3/c1-14-4-3-5-17(20-14)12-21(2)13-18(10-11-18)15-6-8-16(19)9-7-15/h3-9H,10-13,19H2,1-2H3
InChIKeyLARFAJRSYKHNPB-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.14
Rot. Bonds5

About 4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline

4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline (PubChem CID 115913301) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline
PubChem CID115913301
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline
SMILESCc1cccc(CN(C)CC2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C18H23N3/c1-14-4-3-5-17(20-14)12-21(2)13-18(10-11-18)15-6-8-16(19)9-7-15/h3-9H,10-13,19H2,1-2H3
InChIKeyLARFAJRSYKHNPB-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.14
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(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline
CID 115913060
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 113311854
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 115913622
4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
CID 115030998
4-[[(6-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 79267111
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79260632
4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline
CID 112661104
N'-hydroxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]ethanimidamide
CID 79267709
1-[(6-methyl-2-pyridinyl)methyl]cyclopropan-1-amine
CID 130515545
N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019765
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-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline (CID 115913301) is 4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline is Cc1cccc(CN(C)CC2(c3ccc(N)cc3)CC2)n1.
What is the InChIKey of 4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline?
The InChIKey is LARFAJRSYKHNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-4-3-5-17(20-14)12-21(2)13-18(10-11-18)15-6-8-16(19)9-7-15/h3-9H,10-13,19H2,1-2H3.
What are the key properties of 4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline?
4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline has a molecular weight of 281.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]cyclopropyl]aniline is sourced from PubChem (CID 115913301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).