N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine

C16H32N2S — CID 55094286

IUPACN,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN1CCCSCC1
InChIInChI=1S/C16H32N2S/c1-3-14-6-7-16(17-4-2)15(12-14)13-18-8-5-10-19-11-9-18/h14-17H,3-13H2,1-2H3
InChIKeyHONGDYUCQLYDGW-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.23
Rot. Bonds5

About N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine

N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine (PubChem CID 55094286) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
PubChem CID55094286
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC NameN,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN1CCCSCC1
InChIInChI=1S/C16H32N2S/c1-3-14-6-7-16(17-4-2)15(12-14)13-18-8-5-10-19-11-9-18/h14-17H,3-13H2,1-2H3
InChIKeyHONGDYUCQLYDGW-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine (CID 55094286) is N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine is CCNC1CCC(CC)CC1CN1CCCSCC1.
What is the InChIKey of N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is HONGDYUCQLYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-3-14-6-7-16(17-4-2)15(12-14)13-18-8-5-10-19-11-9-18/h14-17H,3-13H2,1-2H3.
What are the key properties of N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine?
N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 284.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 55094286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).