1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine

C14H28N2 — CID 81320957

IUPAC1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine
SMILESCC1CC(C)(C)CCC1NC1CCN(C)C1
InChIInChI=1S/C14H28N2/c1-11-9-14(2,3)7-5-13(11)15-12-6-8-16(4)10-12/h11-13,15H,5-10H2,1-4H3
InChIKeyPPFXRIDLENINBG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds2

About 1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine

1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine (PubChem CID 81320957) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine
PubChem CID81320957
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine
SMILESCC1CC(C)(C)CCC1NC1CCN(C)C1
InChIInChI=1S/C14H28N2/c1-11-9-14(2,3)7-5-13(11)15-12-6-8-16(4)10-12/h11-13,15H,5-10H2,1-4H3
InChIKeyPPFXRIDLENINBG-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(2-methylcyclopentyl)pyrrolidin-3-amine
CID 63278241
(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine
CID 124708701
9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 81320651
N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine
CID 63996461
1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one
CID 103902398
1-methyl-N-(2-methylcyclobutyl)piperidin-3-amine
CID 126973384
N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320577
2,4,4-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
CID 106662241
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81297441
2-[(1-methylpyrrolidin-3-yl)amino]cyclohexan-1-ol
CID 61462250
1-methyl-N-(oxetan-3-yl)pyrrolidin-3-amine
CID 63623290

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine (CID 81320957) is 1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine is CC1CC(C)(C)CCC1NC1CCN(C)C1.
What is the InChIKey of 1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine?
The InChIKey is PPFXRIDLENINBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-9-14(2,3)7-5-13(11)15-12-6-8-16(4)10-12/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine?
1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine is sourced from PubChem (CID 81320957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).