3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

C19H30N2 — CID 64737405

IUPAC3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCC(c3ccccc3)C2)C(N)C1
InChIInChI=1S/C19H30N2/c1-14-10-15(2)18(19(20)11-14)13-21-9-8-17(12-21)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13,20H2,1-2H3
InChIKeyHOIAEBYMRLGNCB-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.49
Rot. Bonds3

About 3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 64737405) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID64737405
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCC(c3ccccc3)C2)C(N)C1
InChIInChI=1S/C19H30N2/c1-14-10-15(2)18(19(20)11-14)13-21-9-8-17(12-21)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13,20H2,1-2H3
InChIKeyHOIAEBYMRLGNCB-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736017
3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 113418838
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967197
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64735267
[1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-yl]methanol
CID 64735025
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine
CID 81200535
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734690
(3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine
CID 67175624
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 65247484
N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62615234
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
2-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736445

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (CID 64737405) is 3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is CC1CC(C)C(CN2CCC(c3ccccc3)C2)C(N)C1.
What is the InChIKey of 3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is HOIAEBYMRLGNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14-10-15(2)18(19(20)11-14)13-21-9-8-17(12-21)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13,20H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64737405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).