2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine

C14H28N2 — CID 106662241

IUPAC2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCC1CCN(C)C1
InChIInChI=1S/C14H28N2/c1-11-7-14(2,3)8-13(11)15-9-12-5-6-16(4)10-12/h11-13,15H,5-10H2,1-4H3
InChIKeyPEHBZGHKYBSHFT-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.35
Rot. Bonds3

About 2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine

2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine (PubChem CID 106662241) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
PubChem CID106662241
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCC1CCN(C)C1
InChIInChI=1S/C14H28N2/c1-11-7-14(2,3)8-13(11)15-9-12-5-6-16(4)10-12/h11-13,15H,5-10H2,1-4H3
InChIKeyPEHBZGHKYBSHFT-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 99838080
2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 106662513
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81297441
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106661614
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentanamine
CID 60856905
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321267
1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine
CID 81320957
8,8-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863813
2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 106661565
1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
CID 176675930
2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine
CID 64762697

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine (CID 106662241) is 2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine is CC1CC(C)(C)CC1NCC1CCN(C)C1.
What is the InChIKey of 2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is PEHBZGHKYBSHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-7-14(2,3)8-13(11)15-9-12-5-6-16(4)10-12/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine?
2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 106662241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).