N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine

C17H29NS — CID 104992089

IUPACN-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1CC)C1CCCC(C)C1
InChIInChI=1S/C17H29NS/c1-4-10-18-16(15-8-6-7-13(3)12-15)17-14(5-2)9-11-19-17/h9,11,13,15-16,18H,4-8,10,12H2,1-3H3
InChIKeyJZXWDIFMZHCPNM-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.18
Rot. Bonds6

About N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine

N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 104992089) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine
PubChem CID104992089
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1CC)C1CCCC(C)C1
InChIInChI=1S/C17H29NS/c1-4-10-18-16(15-8-6-7-13(3)12-15)17-14(5-2)9-11-19-17/h9,11,13,15-16,18H,4-8,10,12H2,1-3H3
InChIKeyJZXWDIFMZHCPNM-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 104992458
1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 104992362
N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105027707
N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 104986473
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
N-[(3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63963526
N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968
N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine
CID 112735849
N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544174
N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531004
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020
N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 64715701

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine (CID 104992089) is N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine is CCCNC(c1sccc1CC)C1CCCC(C)C1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is JZXWDIFMZHCPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-4-10-18-16(15-8-6-7-13(3)12-15)17-14(5-2)9-11-19-17/h9,11,13,15-16,18H,4-8,10,12H2,1-3H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine?
N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 104992089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).