3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine

C14H28N2 — CID 79630966

IUPAC3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(N2CCCC2C)C1
InChIInChI=1S/C14H28N2/c1-3-9-15-13-7-4-8-14(11-13)16-10-5-6-12(16)2/h12-15H,3-11H2,1-2H3
InChIKeyVPUFBUPOSXHFOA-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds4

About 3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine

3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine (PubChem CID 79630966) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
PubChem CID79630966
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(N2CCCC2C)C1
InChIInChI=1S/C14H28N2/c1-3-9-15-13-7-4-8-14(11-13)16-10-5-6-12(16)2/h12-15H,3-11H2,1-2H3
InChIKeyVPUFBUPOSXHFOA-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine (CID 79630966) is 3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine is CCCNC1CCCC(N2CCCC2C)C1.
What is the InChIKey of 3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine?
The InChIKey is VPUFBUPOSXHFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-9-15-13-7-4-8-14(11-13)16-10-5-6-12(16)2/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine?
3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79630966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).