1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride

C14H27Cl2N3O — CID 119864838

IUPAC1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NC2CCN(C3CC3)C2)CCCCC1
InChIInChI=1S/C14H25N3O.2ClH/c15-14(7-2-1-3-8-14)13(18)16-11-6-9-17(10-11)12-4-5-12;;/h11-12H,1-10,15H2,(H,16,18);2*1H
InChIKeyFYRGNEUMEBIANT-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.84
Rot. Bonds3

About 1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119864838) has the molecular formula C14H27Cl2N3O and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119864838
Molecular FormulaC14H27Cl2N3O
Molecular Weight324.30 g/mol
Exact Mass323.15
IUPAC Name1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NC2CCN(C3CC3)C2)CCCCC1
InChIInChI=1S/C14H25N3O.2ClH/c15-14(7-2-1-3-8-14)13(18)16-11-6-9-17(10-11)12-4-5-12;;/h11-12H,1-10,15H2,(H,16,18);2*1H
InChIKeyFYRGNEUMEBIANT-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097146
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 104678068
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119864812
N-(1-cyclopropylpyrrolidin-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597560
1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879160
4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride
CID 120941198
1-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119278564
N-(1-cyclopropylpyrrolidin-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242656
N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
CID 115629328
N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide
CID 55179292
1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 54925385
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride (CID 119864838) is 1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NC2CCN(C3CC3)C2)CCCCC1.
What is the InChIKey of 1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is FYRGNEUMEBIANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O.2ClH/c15-14(7-2-1-3-8-14)13(18)16-11-6-9-17(10-11)12-4-5-12;;/h11-12H,1-10,15H2,(H,16,18);2*1H.
What are the key properties of 1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 324.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119864838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).