N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine

C19H31NS — CID 63507890

IUPACN-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)(C)C1CCC(CNC2CC2)(Cc2ccsc2)CC1
InChIInChI=1S/C19H31NS/c1-18(2,3)16-6-9-19(10-7-16,14-20-17-4-5-17)12-15-8-11-21-13-15/h8,11,13,16-17,20H,4-7,9-10,12,14H2,1-3H3
InChIKeyDKOWPSKENZVXNL-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.27
Rot. Bonds5

About N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine

N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 63507890) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID63507890
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC NameN-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)(C)C1CCC(CNC2CC2)(Cc2ccsc2)CC1
InChIInChI=1S/C19H31NS/c1-18(2,3)16-6-9-19(10-7-16,14-20-17-4-5-17)12-15-8-11-21-13-15/h8,11,13,16-17,20H,4-7,9-10,12,14H2,1-3H3
InChIKeyDKOWPSKENZVXNL-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62719385
N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
CID 55197381
N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63507892
1-[1-[(4-bromophenyl)methyl]-4-tert-butylcyclohexyl]-N-methylmethanamine
CID 63509614
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63508585
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 62725035
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine
CID 114107440
N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 65194994
N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104509991
N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine
CID 83160154
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine
CID 83138742

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine (CID 63507890) is N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine is CC(C)(C)C1CCC(CNC2CC2)(Cc2ccsc2)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is DKOWPSKENZVXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-18(2,3)16-6-9-19(10-7-16,14-20-17-4-5-17)12-15-8-11-21-13-15/h8,11,13,16-17,20H,4-7,9-10,12,14H2,1-3H3.
What are the key properties of N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 305.53 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 63507890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).