1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide

C15H31N3O — CID 64552964

IUPAC1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C15H31N3O/c1-5-18(6-2)11-13(4)17-14(19)15(16)9-7-8-12(3)10-15/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyZTEBJIHDPKTYNX-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds6

About 1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide

1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide (PubChem CID 64552964) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide
PubChem CID64552964
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C15H31N3O/c1-5-18(6-2)11-13(4)17-14(19)15(16)9-7-8-12(3)10-15/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyZTEBJIHDPKTYNX-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 115442035
1-amino-3-methyl-N-(4-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 115740076
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide
CID 106026003
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 64551440
1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 65035910
1-amino-N-[3-(diethylamino)-3-oxopropyl]-3-methylcyclohexane-1-carboxamide
CID 64549217
1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64553804
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide (CID 64552964) is 1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide is CCN(CC)CC(C)NC(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is ZTEBJIHDPKTYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-18(6-2)11-13(4)17-14(19)15(16)9-7-8-12(3)10-15/h12-13H,5-11,16H2,1-4H3,(H,17,19).
What are the key properties of 1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64552964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).