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

C16H32N2 — CID 64949456

IUPAC1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane
SMILESCCCC1CN(C2CCCC(CC)C2)CCCN1
InChIInChI=1S/C16H32N2/c1-3-7-15-13-18(11-6-10-17-15)16-9-5-8-14(4-2)12-16/h14-17H,3-13H2,1-2H3
InChIKeySQYRWEKOFZZRJT-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds4

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

1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane (PubChem CID 64949456) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane
PubChem CID64949456
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane
SMILESCCCC1CN(C2CCCC(CC)C2)CCCN1
InChIInChI=1S/C16H32N2/c1-3-7-15-13-18(11-6-10-17-15)16-9-5-8-14(4-2)12-16/h14-17H,3-13H2,1-2H3
InChIKeySQYRWEKOFZZRJT-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylsulfanylcyclohexyl)-3-propyl-1,4-diazepane
CID 114122783
1-cyclooctyl-3-propylpiperazine
CID 64924184
3-(3-propyl-1,4-diazepan-1-yl)thiolane 1,1-dioxide
CID 64944268
3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane
CID 114102096
2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929792
3-propyl-1-(4-propylcyclohexyl)piperazine
CID 64926746
2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 89311495
3-cyclohexyl-1-(3-ethylcyclohexyl)piperazine
CID 64953854
3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
CID 64944435
1-(azetidin-3-yl)-3-propylpiperazine;hydrochloride
CID 131203794
4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550969
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-ol
CID 114502422

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane?
The IUPAC name of 1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane (CID 64949456) is 1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane?
The canonical SMILES for 1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane is CCCC1CN(C2CCCC(CC)C2)CCCN1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane?
The InChIKey is SQYRWEKOFZZRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-7-15-13-18(11-6-10-17-15)16-9-5-8-14(4-2)12-16/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane?
1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane has a molecular weight of 252.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane is sourced from PubChem (CID 64949456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).