2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine

C12H23N — CID 106662465

IUPAC2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine
SMILESCC1CC1NC1CC(C)(C)CC1C
InChIInChI=1S/C12H23N/c1-8-5-10(8)13-11-7-12(3,4)6-9(11)2/h8-11,13H,5-7H2,1-4H3
InChIKeyYOBFMTNNHQCFRD-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds2

About 2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine

2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine (PubChem CID 106662465) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine
PubChem CID106662465
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine
SMILESCC1CC1NC1CC(C)(C)CC1C
InChIInChI=1S/C12H23N/c1-8-5-10(8)13-11-7-12(3,4)6-9(11)2/h8-11,13H,5-7H2,1-4H3
InChIKeyYOBFMTNNHQCFRD-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,2-trimethylcyclopentan-1-amine
CID 20604599
N,3,3-trimethylcyclopentan-1-amine
CID 53901306
N-(2-fluoroethyl)-2,2-dimethylcyclopentan-1-amine
CID 80695847
N-(3-fluoropropyl)-2,2-dimethylcyclopentan-1-amine
CID 81107079
N-(3-fluoropropyl)-3,3-dimethylcyclopentan-1-amine
CID 104531406
2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine
CID 106210701
2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 106661493
2,4,4-trimethyl-N-(3,3,3-trifluoropropyl)cyclopentan-1-amine
CID 106662497
N-(2,2-difluoroethyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106662695
2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 106662697
2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine
CID 107094015
2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine
CID 107095611

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine (CID 106662465) is 2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine is CC1CC1NC1CC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine?
The InChIKey is YOBFMTNNHQCFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-8-5-10(8)13-11-7-12(3,4)6-9(11)2/h8-11,13H,5-7H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine?
2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine is sourced from PubChem (CID 106662465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).