2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine

C16H29NS — CID 107133883

IUPAC2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine
SMILESCC(C)NCC(=CC1CCSC1)C1CCCCC1
InChIInChI=1S/C16H29NS/c1-13(2)17-11-16(10-14-8-9-18-12-14)15-6-4-3-5-7-15/h10,13-15,17H,3-9,11-12H2,1-2H3
InChIKeyXEPWVHHRYLXCQI-UHFFFAOYSA-N
MW267.48 g/mol
LogP4.24
Rot. Bonds5

About 2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine

2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine (PubChem CID 107133883) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine
PubChem CID107133883
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine
SMILESCC(C)NCC(=CC1CCSC1)C1CCCCC1
InChIInChI=1S/C16H29NS/c1-13(2)17-11-16(10-14-8-9-18-12-14)15-6-4-3-5-7-15/h10,13-15,17H,3-9,11-12H2,1-2H3
InChIKeyXEPWVHHRYLXCQI-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-(2,6-Dimethylhept-5-en-1-yl)-1,3-thiazolidine
CID 3058776
2,6-Dimethyl-3-(5-methylthiolan-2-yl)cyclohex-3-en-1-amine
CID 71166149
6-Ethyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89272406
N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 123631164
N-[2-(3-methylsulfanyl-1,2,8,9,10,10a-hexahydrobenzo[8]annulen-7-yl)ethyl]propan-2-amine
CID 123952870
4-(3-Hexylthiolan-2-yl)-2,6-dimethyl-1,2-dihydropyridine
CID 126728000
4-[amino(cyclobuten-1-yl)methyl]-N-methylthiolan-3-amine
CID 130220826
2-cyclohexyl-N-ethyl-1-(2-methylidene-3,4,5,6-tetrahydrocyclopenta[b]thiophen-3-yl)ethanamine
CID 132062574
5-methylidene-N-[1-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylpropan-2-yl]hept-1-en-2-amine
CID 134568497
2-[(E)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzothiazol-3-ium
CID 140625830
2-Methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine
CID 142009824
2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane
CID 143703564

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine?
The IUPAC name of 2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine (CID 107133883) is 2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine?
The canonical SMILES for 2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine is CC(C)NCC(=CC1CCSC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine?
The InChIKey is XEPWVHHRYLXCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-13(2)17-11-16(10-14-8-9-18-12-14)15-6-4-3-5-7-15/h10,13-15,17H,3-9,11-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine?
2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine has a molecular weight of 267.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-propan-2-yl-3-(thiolan-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 107133883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).