[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone

C19H26N2O — CID 115055901

IUPAC[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone
SMILESNC1(c2ccccc2C2(C(=O)N3CCCCCC3)CC2)CC1
InChIInChI=1S/C19H26N2O/c20-19(11-12-19)16-8-4-3-7-15(16)18(9-10-18)17(22)21-13-5-1-2-6-14-21/h3-4,7-8H,1-2,5-6,9-14,20H2
InChIKeyIVOOAXUUSOUFBP-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.07
Rot. Bonds3

About [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone

[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone (PubChem CID 115055901) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone.

Molecular Properties

Compound Name[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone
PubChem CID115055901
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone
SMILESNC1(c2ccccc2C2(C(=O)N3CCCCCC3)CC2)CC1
InChIInChI=1S/C19H26N2O/c20-19(11-12-19)16-8-4-3-7-15(16)18(9-10-18)17(22)21-13-5-1-2-6-14-21/h3-4,7-8H,1-2,5-6,9-14,20H2
InChIKeyIVOOAXUUSOUFBP-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-piperazin-1-ylmethanone
CID 115055897
[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-morpholin-4-ylmethanone
CID 115055887
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide
CID 115037910
[1-(2-chlorophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 95483027
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
1-[1-(2-fluorophenyl)cyclobutanecarbonyl]piperidine-4-carboxamide
CID 110436587
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 97064118
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 71915693

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone?
The IUPAC name of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone (CID 115055901) is [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone.
What is the SMILES notation for [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone?
The canonical SMILES for [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone is NC1(c2ccccc2C2(C(=O)N3CCCCCC3)CC2)CC1.
What is the InChIKey of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone?
The InChIKey is IVOOAXUUSOUFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c20-19(11-12-19)16-8-4-3-7-15(16)18(9-10-18)17(22)21-13-5-1-2-6-14-21/h3-4,7-8H,1-2,5-6,9-14,20H2.
What are the key properties of [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone?
[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone has a molecular weight of 298.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone is sourced from PubChem (CID 115055901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).