1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine

C15H30N2 — CID 103975531

IUPAC1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CCC(C)(C)CC2C)C1
InChIInChI=1S/C15H30N2/c1-11-9-15(3,4)7-5-14(11)17-8-6-13(10-17)12(2)16/h11-14H,5-10,16H2,1-4H3
InChIKeyCWLAPMUIKXJYHP-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.87
Rot. Bonds2

About 1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine

1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine (PubChem CID 103975531) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine
PubChem CID103975531
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CCC(C)(C)CC2C)C1
InChIInChI=1S/C15H30N2/c1-11-9-15(3,4)7-5-14(11)17-8-6-13(10-17)12(2)16/h11-14H,5-10,16H2,1-4H3
InChIKeyCWLAPMUIKXJYHP-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine
CID 103975580
1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine
CID 81320841
1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine
CID 103975547
1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65085464
1-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]ethanamine
CID 64756606
(1S)-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65391673
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759
3-methyl-1-(2,4,4-trimethylcyclopentyl)piperidin-4-amine
CID 106663521
3-amino-1-(2,4,4-trimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 107321483
2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-amine
CID 79188144
1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975545
1-[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975462

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine (CID 103975531) is 1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(C2CCC(C)(C)CC2C)C1.
What is the InChIKey of 1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is CWLAPMUIKXJYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-11-9-15(3,4)7-5-14(11)17-8-6-13(10-17)12(2)16/h11-14H,5-10,16H2,1-4H3.
What are the key properties of 1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine?
1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 238.42 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).