4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine

C15H25NS — CID 65081242

IUPAC4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine
SMILESCC1CCCC(NC(C)Cc2cccs2)CC1
InChIInChI=1S/C15H25NS/c1-12-5-3-6-14(9-8-12)16-13(2)11-15-7-4-10-17-15/h4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3
InChIKeyWSUGOOPRHZMSGV-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.24
Rot. Bonds4

About 4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine

4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine (PubChem CID 65081242) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine
PubChem CID65081242
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine
SMILESCC1CCCC(NC(C)Cc2cccs2)CC1
InChIInChI=1S/C15H25NS/c1-12-5-3-6-14(9-8-12)16-13(2)11-15-7-4-10-17-15/h4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3
InChIKeyWSUGOOPRHZMSGV-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586
4-propyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 43432822
N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65081351
1,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 81302365
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65079928
cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091889
ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate
CID 43783023
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050
N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842653

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine (CID 65081242) is 4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine is CC1CCCC(NC(C)Cc2cccs2)CC1.
What is the InChIKey of 4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine?
The InChIKey is WSUGOOPRHZMSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-12-5-3-6-14(9-8-12)16-13(2)11-15-7-4-10-17-15/h4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of 4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine?
4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65081242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).