[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine

C16H30N2 — CID 79188405

IUPAC[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCCC(C3CC3)C2)CC1C
InChIInChI=1S/C16H30N2/c1-12-9-18(10-13(12)2)16(11-17)7-3-4-15(8-16)14-5-6-14/h12-15H,3-11,17H2,1-2H3
InChIKeyHBTDEUNQPJQWEN-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.87
Rot. Bonds3

About [3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine

[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine (PubChem CID 79188405) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is [3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine
PubChem CID79188405
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCCC(C3CC3)C2)CC1C
InChIInChI=1S/C16H30N2/c1-12-9-18(10-13(12)2)16(11-17)7-3-4-15(8-16)14-5-6-14/h12-15H,3-11,17H2,1-2H3
InChIKeyHBTDEUNQPJQWEN-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine (CID 79188405) is [3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine is CC1CN(C2(CN)CCCC(C3CC3)C2)CC1C.
What is the InChIKey of [3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine?
The InChIKey is HBTDEUNQPJQWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12-9-18(10-13(12)2)16(11-17)7-3-4-15(8-16)14-5-6-14/h12-15H,3-11,17H2,1-2H3.
What are the key properties of [3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine?
[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine has a molecular weight of 250.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 79188405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).