N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine

C18H31NS — CID 63501793

IUPACN-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H31NS/c1-5-12-19-17(16-7-6-13-20-16)14-8-10-15(11-9-14)18(2,3)4/h6-7,13-15,17,19H,5,8-12H2,1-4H3
InChIKeyHNOHXOSBZCSKEY-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.64
Rot. Bonds5

About N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine

N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 63501793) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID63501793
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H31NS/c1-5-12-19-17(16-7-6-13-20-16)14-8-10-15(11-9-14)18(2,3)4/h6-7,13-15,17,19H,5,8-12H2,1-4H3
InChIKeyHNOHXOSBZCSKEY-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-2-ylmethyl]propan-1-amine with MolForge

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
N-[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63504364
N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
CID 65415541
N-[cyclopropyl(thiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326887
3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol
CID 65108397
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
CID 66169808
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 104575012
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 115898683
tert-butyl N-[3-[[cyclopropyl(thiophen-2-yl)methyl]amino]propyl]carbamate
CID 103910636
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine (CID 63501793) is N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is HNOHXOSBZCSKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-5-12-19-17(16-7-6-13-20-16)14-8-10-15(11-9-14)18(2,3)4/h6-7,13-15,17,19H,5,8-12H2,1-4H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(4-tert-butylcyclohexyl)-thiophen-2-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-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 63501793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).