N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine

C17H29NS — CID 43225917

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C17H29NS/c1-4-6-14-8-10-15(11-9-14)18-17(13(2)3)16-7-5-12-19-16/h5,7,12-15,17-18H,4,6,8-11H2,1-3H3
InChIKeyRVDDXUNNWXCMSV-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.39
Rot. Bonds6

About N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine

N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine (PubChem CID 43225917) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine
PubChem CID43225917
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C17H29NS/c1-4-6-14-8-10-15(11-9-14)18-17(13(2)3)16-7-5-12-19-16/h5,7,12-15,17-18H,4,6,8-11H2,1-3H3
InChIKeyRVDDXUNNWXCMSV-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
4-propyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 43432822
4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
CID 65091558
N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
CID 65086617
1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
CID 43771737
N-[(1R)-1-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 81403874
3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64594870
4-propyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 63454289
1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
CID 43778771
2-[1-[(4-propylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107710869
4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 28544170
tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate
CID 63302805

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine (CID 43225917) is N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine is CCCC1CCC(NC(c2cccs2)C(C)C)CC1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine?
The InChIKey is RVDDXUNNWXCMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-4-6-14-8-10-15(11-9-14)18-17(13(2)3)16-7-5-12-19-16/h5,7,12-15,17-18H,4,6,8-11H2,1-3H3.
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine?
N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 43225917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).