N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide

C15H29N3O — CID 79152914

IUPACN-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide
SMILESCCN(C(=O)N1CCCCCC1)C1CCC(N)CC1
InChIInChI=1S/C15H29N3O/c1-2-18(14-9-7-13(16)8-10-14)15(19)17-11-5-3-4-6-12-17/h13-14H,2-12,16H2,1H3
InChIKeyQNQODGAIBBFUIK-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.57
Rot. Bonds2

About N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide

N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide (PubChem CID 79152914) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide
PubChem CID79152914
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide
SMILESCCN(C(=O)N1CCCCCC1)C1CCC(N)CC1
InChIInChI=1S/C15H29N3O/c1-2-18(14-9-7-13(16)8-10-14)15(19)17-11-5-3-4-6-12-17/h13-14H,2-12,16H2,1H3
InChIKeyQNQODGAIBBFUIK-UHFFFAOYSA-N
XLogP2.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79162664
N-(4-aminocyclohexyl)-N-methylpiperidine-1-carboxamide
CID 79154903
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpiperidine-1-carboxamide
CID 79155372
2-[(4-aminocyclohexyl)-ethylamino]-1-piperidin-1-ylethanone
CID 79115964
N-(4-aminocyclohexyl)-4-methyl-N-propylpiperidine-1-carboxamide
CID 79162762
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
N-(4-aminocyclohexyl)-N-ethylcyclobutanecarboxamide
CID 79116436
N-[2-(aminomethyl)cyclopentyl]-N-ethylpiperidine-1-carboxamide
CID 79155815
2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
1-(4-aminocyclohexyl)-1-ethyl-3-propan-2-ylurea
CID 79116126
N-(4-aminocyclohexyl)-2-cyclohexyl-N-ethylacetamide
CID 79115417
2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one
CID 79121745

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide (CID 79152914) is N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide is CCN(C(=O)N1CCCCCC1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide?
The InChIKey is QNQODGAIBBFUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-18(14-9-7-13(16)8-10-14)15(19)17-11-5-3-4-6-12-17/h13-14H,2-12,16H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide?
N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide is sourced from PubChem (CID 79152914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).