N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine

C19H36N2 — CID 79536701

IUPACN-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCCCC1CCC(NC2CCCCC2C2CCCN2)CC1
InChIInChI=1S/C19H36N2/c1-2-6-15-10-12-16(13-11-15)21-19-8-4-3-7-17(19)18-9-5-14-20-18/h15-21H,2-14H2,1H3
InChIKeyDKRCRNSTPPQSNA-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.25
Rot. Bonds5

About N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine

N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine (PubChem CID 79536701) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
PubChem CID79536701
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCCCC1CCC(NC2CCCCC2C2CCCN2)CC1
InChIInChI=1S/C19H36N2/c1-2-6-15-10-12-16(13-11-15)21-19-8-4-3-7-17(19)18-9-5-14-20-18/h15-21H,2-14H2,1H3
InChIKeyDKRCRNSTPPQSNA-UHFFFAOYSA-N
XLogP4.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine (CID 79536701) is N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine is CCCC1CCC(NC2CCCCC2C2CCCN2)CC1.
What is the InChIKey of N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The InChIKey is DKRCRNSTPPQSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-2-6-15-10-12-16(13-11-15)21-19-8-4-3-7-17(19)18-9-5-14-20-18/h15-21H,2-14H2,1H3.
What are the key properties of N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79536701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).