4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine

C14H23NS — CID 65080142

IUPAC4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine
SMILESCc1ccc(CNC2CCCC(C)CC2)s1
InChIInChI=1S/C14H23NS/c1-11-4-3-5-13(8-6-11)15-10-14-9-7-12(2)16-14/h7,9,11,13,15H,3-6,8,10H2,1-2H3
InChIKeyZUHFFXFSQDPEPJ-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.11
Rot. Bonds3

About 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine

4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine (PubChem CID 65080142) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine
PubChem CID65080142
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine
SMILESCc1ccc(CNC2CCCC(C)CC2)s1
InChIInChI=1S/C14H23NS/c1-11-4-3-5-13(8-6-11)15-10-14-9-7-12(2)16-14/h7,9,11,13,15H,3-6,8,10H2,1-2H3
InChIKeyZUHFFXFSQDPEPJ-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 64744447
N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine
CID 114817596
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887
N-[(5-methylthiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614827
N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696592
9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471235
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
trans-(1S,2S)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339567
trans-(1R,2R)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339568

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine (CID 65080142) is 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine is Cc1ccc(CNC2CCCC(C)CC2)s1.
What is the InChIKey of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine?
The InChIKey is ZUHFFXFSQDPEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11-4-3-5-13(8-6-11)15-10-14-9-7-12(2)16-14/h7,9,11,13,15H,3-6,8,10H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine?
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 65080142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).