N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride

C13H28Cl2N2 — CID 154808043

IUPACN-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride
SMILESC1CCC(CNCCN2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C13H26N2.2ClH/c1-2-6-13(7-3-1)12-14-8-11-15-9-4-5-10-15;;/h13-14H,1-12H2;2*1H
InChIKeyMALIHVBDJMIQQC-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.10
Rot. Bonds5

About N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride

N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride (PubChem CID 154808043) has the molecular formula C13H28Cl2N2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride
PubChem CID154808043
Molecular FormulaC13H28Cl2N2
Molecular Weight283.29 g/mol
Exact Mass282.16
IUPAC NameN-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride
SMILESC1CCC(CNCCN2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C13H26N2.2ClH/c1-2-6-13(7-3-1)12-14-8-11-15-9-4-5-10-15;;/h13-14H,1-12H2;2*1H
InChIKeyMALIHVBDJMIQQC-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride?
The IUPAC name of N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride (CID 154808043) is N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride is C1CCC(CNCCN2CCCC2)CC1.Cl.Cl.
What is the InChIKey of N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride?
The InChIKey is MALIHVBDJMIQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.2ClH/c1-2-6-13(7-3-1)12-14-8-11-15-9-4-5-10-15;;/h13-14H,1-12H2;2*1H.
What are the key properties of N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride?
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride has a molecular weight of 283.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride is sourced from PubChem (CID 154808043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).