4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline

C16H22N2 — CID 106314850

IUPAC4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline
SMILESCC1=CCCN(CC2(c3ccc(N)cc3)CC2)C1
InChIInChI=1S/C16H22N2/c1-13-3-2-10-18(11-13)12-16(8-9-16)14-4-6-15(17)7-5-14/h3-7H,2,8-12,17H2,1H3
InChIKeyUWQUUUZXIBJOMA-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.95
Rot. Bonds3

About 4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline

4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline (PubChem CID 106314850) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline
PubChem CID106314850
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline
SMILESCC1=CCCN(CC2(c3ccc(N)cc3)CC2)C1
InChIInChI=1S/C16H22N2/c1-13-3-2-10-18(11-13)12-16(8-9-16)14-4-6-15(17)7-5-14/h3-7H,2,8-12,17H2,1H3
InChIKeyUWQUUUZXIBJOMA-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine
CID 106314909
4-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]aniline
CID 115913256
4-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]aniline
CID 115913106
4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
CID 106314952
4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline
CID 103534653
1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopropan-1-amine
CID 131059396
4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline
CID 102963363
5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
CID 53316629
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106314964
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
CID 106314970
7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
CID 106315033

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline (CID 106314850) is 4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline is CC1=CCCN(CC2(c3ccc(N)cc3)CC2)C1.
What is the InChIKey of 4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline?
The InChIKey is UWQUUUZXIBJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13-3-2-10-18(11-13)12-16(8-9-16)14-4-6-15(17)7-5-14/h3-7H,2,8-12,17H2,1H3.
What are the key properties of 4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline?
4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline has a molecular weight of 242.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropyl]aniline is sourced from PubChem (CID 106314850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).