N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine

C18H31NS — CID 65415541

IUPACN-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H31NS/c1-5-11-19-17(15-10-12-20-13-15)14-6-8-16(9-7-14)18(2,3)4/h10,12-14,16-17,19H,5-9,11H2,1-4H3
InChIKeyYNJDZRUJSPXKJQ-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.64
Rot. Bonds5

About N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine

N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 65415541) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID65415541
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H31NS/c1-5-11-19-17(15-10-12-20-13-15)14-6-8-16(9-7-14)18(2,3)4/h10,12-14,16-17,19H,5-9,11H2,1-4H3
InChIKeyYNJDZRUJSPXKJQ-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-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

Related Compounds

N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]hydrazine
CID 105232646
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
N-[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63504364
N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988409
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105154131
N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647597
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine (CID 65415541) is N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is YNJDZRUJSPXKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-5-11-19-17(15-10-12-20-13-15)14-6-8-16(9-7-14)18(2,3)4/h10,12-14,16-17,19H,5-9,11H2,1-4H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 65415541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).