1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride

C19H38ClN3O — CID 120915734

IUPAC1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNC1CCCC1C1COCCN1)C1CCCCC1.Cl
InChIInChI=1S/C19H37N3O.ClH/c1-22(2)19(15-7-4-3-5-8-15)13-21-17-10-6-9-16(17)18-14-23-12-11-20-18;/h15-21H,3-14H2,1-2H3;1H
InChIKeySBPZFTRRVGWSFA-UHFFFAOYSA-N
MW359.99 g/mol
LogP2.67
Rot. Bonds6

About 1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride

1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride (PubChem CID 120915734) has the molecular formula C19H38ClN3O and a molecular weight of 359.99 g/mol. Its IUPAC name is 1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride
PubChem CID120915734
Molecular FormulaC19H38ClN3O
Molecular Weight359.99 g/mol
Exact Mass359.27
IUPAC Name1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNC1CCCC1C1COCCN1)C1CCCCC1.Cl
InChIInChI=1S/C19H37N3O.ClH/c1-22(2)19(15-7-4-3-5-8-15)13-21-17-10-6-9-16(17)18-14-23-12-11-20-18;/h15-21H,3-14H2,1-2H3;1H
InChIKeySBPZFTRRVGWSFA-UHFFFAOYSA-N
XLogP2.67
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.99
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of 1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride (CID 120915734) is 1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for 1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride is CN(C)C(CNC1CCCC1C1COCCN1)C1CCCCC1.Cl.
What is the InChIKey of 1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is SBPZFTRRVGWSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O.ClH/c1-22(2)19(15-7-4-3-5-8-15)13-21-17-10-6-9-16(17)18-14-23-12-11-20-18;/h15-21H,3-14H2,1-2H3;1H.
What are the key properties of 1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride?
1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 359.99 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120915734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).