1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide

C15H29N3O — CID 79651227

IUPAC1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide
SMILESCCCC1CCCN(C2CCC(N)(C(N)=O)C2)CC1
InChIInChI=1S/C15H29N3O/c1-2-4-12-5-3-9-18(10-7-12)13-6-8-15(17,11-13)14(16)19/h12-13H,2-11,17H2,1H3,(H2,16,19)
InChIKeyOXRZIQNRVUPXIL-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.62
Rot. Bonds4

About 1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide

1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide (PubChem CID 79651227) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide
PubChem CID79651227
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide
SMILESCCCC1CCCN(C2CCC(N)(C(N)=O)C2)CC1
InChIInChI=1S/C15H29N3O/c1-2-4-12-5-3-9-18(10-7-12)13-6-8-15(17,11-13)14(16)19/h12-13H,2-11,17H2,1H3,(H2,16,19)
InChIKeyOXRZIQNRVUPXIL-UHFFFAOYSA-N
XLogP1.62
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651264
1-amino-3-(4-tert-butylazepan-1-yl)cyclopentane-1-carboxamide
CID 79651723
1-amino-3-(4-piperidin-1-ylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79646142
1-amino-3-(4,4-diethylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79651839
1-(cyclopropylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79647898
1-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentane-1-carboxamide
CID 79651841
1-amino-3-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79650015
1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexane-1-carboxamide
CID 79642191
1-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 79641851
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651051
1-amino-3-(4-ethyl-3-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79650855
1-amino-3-(4-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79641894

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide (CID 79651227) is 1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide is CCCC1CCCN(C2CCC(N)(C(N)=O)C2)CC1.
What is the InChIKey of 1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide?
The InChIKey is OXRZIQNRVUPXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-4-12-5-3-9-18(10-7-12)13-6-8-15(17,11-13)14(16)19/h12-13H,2-11,17H2,1H3,(H2,16,19).
What are the key properties of 1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide?
1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-propylazepan-1-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79651227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).