3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine

C13H27N3 — CID 90132085

IUPAC3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine
SMILESCCN1CCCN(C2CCCC(N)C2)CC1
InChIInChI=1S/C13H27N3/c1-2-15-7-4-8-16(10-9-15)13-6-3-5-12(14)11-13/h12-13H,2-11,14H2,1H3
InChIKeyCNBTZWPLQUUANE-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.28
Rot. Bonds2

About 3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine

3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine (PubChem CID 90132085) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine
PubChem CID90132085
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine
SMILESCCN1CCCN(C2CCCC(N)C2)CC1
InChIInChI=1S/C13H27N3/c1-2-15-7-4-8-16(10-9-15)13-6-3-5-12(14)11-13/h12-13H,2-11,14H2,1H3
InChIKeyCNBTZWPLQUUANE-UHFFFAOYSA-N
XLogP1.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 167776529
1-ethyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784147
1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 784145
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine
CID 79469057
3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine
CID 58236041
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
1-[4-[(1S,3R)-3-aminocyclohexyl]piperazin-1-yl]ethanone
CID 169448440
4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane
CID 171641351
(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 12783916
(2R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 51670154
8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65077683
1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane
CID 83618604

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine?
The IUPAC name of 3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine (CID 90132085) is 3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine is CCN1CCCN(C2CCCC(N)C2)CC1.
What is the InChIKey of 3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine?
The InChIKey is CNBTZWPLQUUANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-15-7-4-8-16(10-9-15)13-6-3-5-12(14)11-13/h12-13H,2-11,14H2,1H3.
What are the key properties of 3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine?
3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 90132085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).