1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine

C16H28N2S — CID 65085139

IUPAC1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine
SMILESCCN(Cc1cccs1)C1(CN)CCCC(C)CC1
InChIInChI=1S/C16H28N2S/c1-3-18(12-15-7-5-11-19-15)16(13-17)9-4-6-14(2)8-10-16/h5,7,11,14H,3-4,6,8-10,12-13,17H2,1-2H3
InChIKeyWOMKMIXOOKOPML-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.87
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine

1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine (PubChem CID 65085139) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine
PubChem CID65085139
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine
SMILESCCN(Cc1cccs1)C1(CN)CCCC(C)CC1
InChIInChI=1S/C16H28N2S/c1-3-18(12-15-7-5-11-19-15)16(13-17)9-4-6-14(2)8-10-16/h5,7,11,14H,3-4,6,8-10,12-13,17H2,1-2H3
InChIKeyWOMKMIXOOKOPML-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine
CID 61436948
1-(aminomethyl)-N,3-diethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64501978
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 61436759
1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 54948660
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 62006924
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65085089
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 63485980
1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63487026
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 65458490
N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine
CID 63776047

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine (CID 65085139) is 1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine is CCN(Cc1cccs1)C1(CN)CCCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is WOMKMIXOOKOPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-3-18(12-15-7-5-11-19-15)16(13-17)9-4-6-14(2)8-10-16/h5,7,11,14H,3-4,6,8-10,12-13,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 65085139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).