N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine

C13H27N — CID 146383066

IUPACN-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine
SMILESCCC[C@@H]1CCCC1C(C)CCNC
InChIInChI=1S/C13H27N/c1-4-6-12-7-5-8-13(12)11(2)9-10-14-3/h11-14H,4-10H2,1-3H3/t11?,12-,13?/m1/s1
InChIKeyNWXSJKYVDJWEFS-OTTFEQOBSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds6

About N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine

N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine (PubChem CID 146383066) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine
PubChem CID146383066
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine
SMILESCCC[C@@H]1CCCC1C(C)CCNC
InChIInChI=1S/C13H27N/c1-4-6-12-7-5-8-13(12)11(2)9-10-14-3/h11-14H,4-10H2,1-3H3/t11?,12-,13?/m1/s1
InChIKeyNWXSJKYVDJWEFS-OTTFEQOBSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine?
The IUPAC name of N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine (CID 146383066) is N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine.
What is the SMILES notation for N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine?
The canonical SMILES for N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine is CCC[C@@H]1CCCC1C(C)CCNC.
What is the InChIKey of N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine?
The InChIKey is NWXSJKYVDJWEFS-OTTFEQOBSA-N. The full InChI is InChI=1S/C13H27N/c1-4-6-12-7-5-8-13(12)11(2)9-10-14-3/h11-14H,4-10H2,1-3H3/t11?,12-,13?/m1/s1.
What are the key properties of N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine?
N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine is sourced from PubChem (CID 146383066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).