N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine

C18H32N2S — CID 80719917

IUPACN,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
SMILESCCCNCc1cc(CN(C)C2CCCCC2C)c(C)s1
InChIInChI=1S/C18H32N2S/c1-5-10-19-12-17-11-16(15(3)21-17)13-20(4)18-9-7-6-8-14(18)2/h11,14,18-19H,5-10,12-13H2,1-4H3
InChIKeyIVFYDABXOHFNCQ-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.57
Rot. Bonds7

About N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine

N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine (PubChem CID 80719917) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
PubChem CID80719917
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC NameN,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
SMILESCCCNCc1cc(CN(C)C2CCCCC2C)c(C)s1
InChIInChI=1S/C18H32N2S/c1-5-10-19-12-17-11-16(15(3)21-17)13-20(4)18-9-7-6-8-14(18)2/h11,14,18-19H,5-10,12-13H2,1-4H3
InChIKeyIVFYDABXOHFNCQ-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
CID 80728304
N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728764
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80727288
N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80719418
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 107402142
N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine
CID 80727545
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N,4,4-trimethylcyclohexan-1-amine
CID 80719822
N-[[5-methyl-4-[(2-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727521
N-[[5-methyl-4-[[methyl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727702
N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine
CID 80720708
N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]butan-2-amine
CID 80728121
5-chloro-N-methyl-N-(2-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114850043

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine (CID 80719917) is N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine is CCCNCc1cc(CN(C)C2CCCCC2C)c(C)s1.
What is the InChIKey of N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine?
The InChIKey is IVFYDABXOHFNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-10-19-12-17-11-16(15(3)21-17)13-20(4)18-9-7-6-8-14(18)2/h11,14,18-19H,5-10,12-13H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine?
N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine has a molecular weight of 308.54 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 80719917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).