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

C16H32N2 — CID 113418838

IUPAC3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCC(C(C)C)C2)C(N)C1
InChIInChI=1S/C16H32N2/c1-11(2)14-5-6-18(9-14)10-15-13(4)7-12(3)8-16(15)17/h11-16H,5-10,17H2,1-4H3
InChIKeyITMDPWGWSMWAQY-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.97
Rot. Bonds3

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

3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 113418838) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID113418838
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCC(C(C)C)C2)C(N)C1
InChIInChI=1S/C16H32N2/c1-11(2)14-5-6-18(9-14)10-15-13(4)7-12(3)8-16(15)17/h11-16H,5-10,17H2,1-4H3
InChIKeyITMDPWGWSMWAQY-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (CID 113418838) is 3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is CC1CC(C)C(CN2CCC(C(C)C)C2)C(N)C1.
What is the InChIKey of 3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is ITMDPWGWSMWAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-11(2)14-5-6-18(9-14)10-15-13(4)7-12(3)8-16(15)17/h11-16H,5-10,17H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 2.97, 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-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 113418838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).