1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide

C17H33N3O — CID 79645390

IUPAC1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(N2CCCC(C(C)C)CC2)C1
InChIInChI=1S/C17H33N3O/c1-4-19-17(16(18)21)9-7-15(12-17)20-10-5-6-14(8-11-20)13(2)3/h13-15,19H,4-12H2,1-3H3,(H2,18,21)
InChIKeyQBHIUUKCGMZNOB-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.13
Rot. Bonds5

About 1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide

1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide (PubChem CID 79645390) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide
PubChem CID79645390
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(N2CCCC(C(C)C)CC2)C1
InChIInChI=1S/C17H33N3O/c1-4-19-17(16(18)21)9-7-15(12-17)20-10-5-6-14(8-11-20)13(2)3/h13-15,19H,4-12H2,1-3H3,(H2,18,21)
InChIKeyQBHIUUKCGMZNOB-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentane-1-carboxamide
CID 79644633
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79646112
1-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79651425
[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
CID 79656554
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
1-amino-3-(4-propan-2-ylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642332
1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 79641984
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79651474
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79651308
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide (CID 79645390) is 1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(N2CCCC(C(C)C)CC2)C1.
What is the InChIKey of 1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide?
The InChIKey is QBHIUUKCGMZNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-19-17(16(18)21)9-7-15(12-17)20-10-5-6-14(8-11-20)13(2)3/h13-15,19H,4-12H2,1-3H3,(H2,18,21).
What are the key properties of 1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide?
1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79645390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).