N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine

C12H25N — CID 106664352

IUPACN-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine
SMILESCCC(NC)C1CC(C)(C)CC1C
InChIInChI=1S/C12H25N/c1-6-11(13-5)10-8-12(3,4)7-9(10)2/h9-11,13H,6-8H2,1-5H3
InChIKeyNTYDUPGKFCLQBY-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds3

About N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine

N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine (PubChem CID 106664352) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine
PubChem CID106664352
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine
SMILESCCC(NC)C1CC(C)(C)CC1C
InChIInChI=1S/C12H25N/c1-6-11(13-5)10-8-12(3,4)7-9(10)2/h9-11,13H,6-8H2,1-5H3
InChIKeyNTYDUPGKFCLQBY-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine?
The IUPAC name of N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine (CID 106664352) is N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine?
The canonical SMILES for N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine is CCC(NC)C1CC(C)(C)CC1C.
What is the InChIKey of N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine?
The InChIKey is NTYDUPGKFCLQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-11(13-5)10-8-12(3,4)7-9(10)2/h9-11,13H,6-8H2,1-5H3.
What are the key properties of N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine?
N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine is sourced from PubChem (CID 106664352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).