1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine

C13H26N2O2S — CID 65045428

IUPAC1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine
SMILESCCN(CC1CC1)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C13H26N2O2S/c1-3-15(9-11-6-7-11)13(10-14)8-4-5-12(13)18(2,16)17/h11-12H,3-10,14H2,1-2H3
InChIKeyIQFATUPLHTZGEC-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.01
Rot. Bonds6

About 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine

1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65045428) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine
PubChem CID65045428
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine
SMILESCCN(CC1CC1)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C13H26N2O2S/c1-3-15(9-11-6-7-11)13(10-14)8-4-5-12(13)18(2,16)17/h11-12H,3-10,14H2,1-2H3
InChIKeyIQFATUPLHTZGEC-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 65045427
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine
CID 63955339
1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
CID 65045921
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine
CID 65045669
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline
CID 65044946
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 112658395
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline
CID 65045983
1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine
CID 65044943
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046188
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 64756767
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine (CID 65045428) is 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine is CCN(CC1CC1)C1(CN)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is IQFATUPLHTZGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-15(9-11-6-7-11)13(10-14)8-4-5-12(13)18(2,16)17/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine?
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65045428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).