3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane

C16H30N2 — CID 64943423

IUPAC3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane
SMILESCCC1CCC(N2CCCNC(C3CC3)C2)CC1
InChIInChI=1S/C16H30N2/c1-2-13-4-8-15(9-5-13)18-11-3-10-17-16(12-18)14-6-7-14/h13-17H,2-12H2,1H3
InChIKeySWGBDBNIHCQTMT-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds3

About 3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane

3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane (PubChem CID 64943423) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane
PubChem CID64943423
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane
SMILESCCC1CCC(N2CCCNC(C3CC3)C2)CC1
InChIInChI=1S/C16H30N2/c1-2-13-4-8-15(9-5-13)18-11-3-10-17-16(12-18)14-6-7-14/h13-17H,2-12H2,1H3
InChIKeySWGBDBNIHCQTMT-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane
CID 64944124
6-(4-ethylcycloheptyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678338
1-cycloheptyl-3-cyclohexyl-1,4-diazepane
CID 64945306
1-cyclooctyl-3-cyclopropylpiperazine
CID 64924583
3-cyclohexyl-1-(3-ethylcyclohexyl)piperazine
CID 64953854
3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
CID 64944435
3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane
CID 64942966
1-cyclopropyl-3-ethylpiperidine
CID 76560892
3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane
CID 114121931
1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
CID 63259630
[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
CID 40506920
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane
CID 64951403

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane (CID 64943423) is 3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane is CCC1CCC(N2CCCNC(C3CC3)C2)CC1.
What is the InChIKey of 3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane?
The InChIKey is SWGBDBNIHCQTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-13-4-8-15(9-5-13)18-11-3-10-17-16(12-18)14-6-7-14/h13-17H,2-12H2,1H3.
What are the key properties of 3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane?
3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane has a molecular weight of 250.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane is sourced from PubChem (CID 64943423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).