(1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine

C12H20N2 — CID 59436642

IUPAC(1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine
SMILESCC1CCC[C@@H]1NCc1cccn1C
InChIInChI=1S/C12H20N2/c1-10-5-3-7-12(10)13-9-11-6-4-8-14(11)2/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3/t10?,12-/m0/s1
InChIKeyVRPKGKIZABKLLA-KFJBMODSSA-N
MW192.31 g/mol
LogP2.30
Rot. Bonds3

About (1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine

(1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine (PubChem CID 59436642) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine
PubChem CID59436642
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine
SMILESCC1CCC[C@@H]1NCc1cccn1C
InChIInChI=1S/C12H20N2/c1-10-5-3-7-12(10)13-9-11-6-4-8-14(11)2/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3/t10?,12-/m0/s1
InChIKeyVRPKGKIZABKLLA-KFJBMODSSA-N
XLogP2.30
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of (1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine (CID 59436642) is (1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for (1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for (1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine is CC1CCC[C@@H]1NCc1cccn1C.
What is the InChIKey of (1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is VRPKGKIZABKLLA-KFJBMODSSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-5-3-7-12(10)13-9-11-6-4-8-14(11)2/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3/t10?,12-/m0/s1.
What are the key properties of (1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine?
(1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 59436642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).