[1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine

C17H26N2 — CID 117399945

IUPAC[1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine
SMILESCN1CCCC(c2cccc(C3(CN)CC3)c2)CC1
InChIInChI=1S/C17H26N2/c1-19-10-3-5-14(7-11-19)15-4-2-6-16(12-15)17(13-18)8-9-17/h2,4,6,12,14H,3,5,7-11,13,18H2,1H3
InChIKeyRMZXUQWFKMYVMA-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.88
Rot. Bonds3

About [1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine

[1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine (PubChem CID 117399945) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine
PubChem CID117399945
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name[1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine
SMILESCN1CCCC(c2cccc(C3(CN)CC3)c2)CC1
InChIInChI=1S/C17H26N2/c1-19-10-3-5-14(7-11-19)15-4-2-6-16(12-15)17(13-18)8-9-17/h2,4,6,12,14H,3,5,7-11,13,18H2,1H3
InChIKeyRMZXUQWFKMYVMA-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117397255
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
CID 117405750
2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
CID 117368932
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852
[1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine
CID 117309887
2-[3-(1-methylazepan-4-yl)phenyl]ethanol
CID 117339022
[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine
CID 84793975
[1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine
CID 70294454
[1-(4-cyclobutylphenyl)cyclopropyl]methanamine
CID 117290330
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
2-[3-(1-methylpiperidin-4-yl)phenyl]-2-oxoacetic acid
CID 117370492

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine (CID 117399945) is [1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine is CN1CCCC(c2cccc(C3(CN)CC3)c2)CC1.
What is the InChIKey of [1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine?
The InChIKey is RMZXUQWFKMYVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-19-10-3-5-14(7-11-19)15-4-2-6-16(12-15)17(13-18)8-9-17/h2,4,6,12,14H,3,5,7-11,13,18H2,1H3.
What are the key properties of [1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine?
[1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine has a molecular weight of 258.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117399945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).