3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide

C13H25N3O2 — CID 113396372

IUPAC3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CC(C(=O)NCCC(=O)N(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-9-6-10(8-11(14)7-9)13(18)15-5-4-12(17)16(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyAVPNLENBYXWGJN-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.34
Rot. Bonds4

About 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide

3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide (PubChem CID 113396372) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide
PubChem CID113396372
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CC(C(=O)NCCC(=O)N(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-9-6-10(8-11(14)7-9)13(18)15-5-4-12(17)16(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyAVPNLENBYXWGJN-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide
CID 114134969
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide
CID 106241360
N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 131134003
3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 113396384
N-[3-(dimethylamino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 78983149
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 115161643
N-[3-(dimethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112728984
(1S,6R)-6-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93356353
N-(2-amino-2-methylpropyl)-3-methylcyclobutane-1-carboxamide
CID 130652190
3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
CID 60989213
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850859

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide (CID 113396372) is 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide is CC1CC(N)CC(C(=O)NCCC(=O)N(C)C)C1.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide?
The InChIKey is AVPNLENBYXWGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9-6-10(8-11(14)7-9)13(18)15-5-4-12(17)16(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,18).
What are the key properties of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide?
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 113396372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).