1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide

C16H32N4O — CID 79633998

IUPAC1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N(C)CC2CCCN2C)C1
InChIInChI=1S/C16H32N4O/c1-4-18-16(15(17)21)9-5-7-13(11-16)20(3)12-14-8-6-10-19(14)2/h13-14,18H,4-12H2,1-3H3,(H2,17,21)
InChIKeySSZNOZWTUVHDSG-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.79
Rot. Bonds6

About 1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide

1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide (PubChem CID 79633998) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide
PubChem CID79633998
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N(C)CC2CCCN2C)C1
InChIInChI=1S/C16H32N4O/c1-4-18-16(15(17)21)9-5-7-13(11-16)20(3)12-14-8-6-10-19(14)2/h13-14,18H,4-12H2,1-3H3,(H2,17,21)
InChIKeySSZNOZWTUVHDSG-UHFFFAOYSA-N
XLogP0.79
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide (CID 79633998) is 1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(N(C)CC2CCCN2C)C1.
What is the InChIKey of 1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide?
The InChIKey is SSZNOZWTUVHDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-4-18-16(15(17)21)9-5-7-13(11-16)20(3)12-14-8-6-10-19(14)2/h13-14,18H,4-12H2,1-3H3,(H2,17,21).
What are the key properties of 1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide?
1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79633998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).