N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine

C18H30N2S — CID 107555313

IUPACN-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)Cc2ccc(CNC3CC3)s2)CC1
InChIInChI=1S/C18H30N2S/c1-3-14-4-8-16(9-5-14)20(2)13-18-11-10-17(21-18)12-19-15-6-7-15/h10-11,14-16,19H,3-9,12-13H2,1-2H3
InChIKeyPRHXHOYXXWKMDF-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.40
Rot. Bonds7

About N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine

N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 107555313) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID107555313
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)Cc2ccc(CNC3CC3)s2)CC1
InChIInChI=1S/C18H30N2S/c1-3-14-4-8-16(9-5-14)20(2)13-18-11-10-17(21-18)12-19-15-6-7-15/h10-11,14-16,19H,3-9,12-13H2,1-2H3
InChIKeyPRHXHOYXXWKMDF-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
N-benzyl-8-[5-[4-(benzylamino)butyl]thiophen-2-yl]octan-1-amine
CID 44424647
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
N-((4-fluoro-1-(thien-3-ylmethyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453456
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520
N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126036
(3S)-1-N-[4-[5-(4-aminobutyl)thiophen-2-yl]butyl]-1-N-benzyl-4-phenylbutane-1,3-diamine
CID 16126189
1-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 16192824

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine (CID 107555313) is N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(N(C)Cc2ccc(CNC3CC3)s2)CC1.
What is the InChIKey of N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is PRHXHOYXXWKMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-3-14-4-8-16(9-5-14)20(2)13-18-11-10-17(21-18)12-19-15-6-7-15/h10-11,14-16,19H,3-9,12-13H2,1-2H3.
What are the key properties of N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 107555313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).