3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide

C14H29N3O — CID 55116859

IUPAC3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NCCN(C)C(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)17(4)9-8-16-14(18)12-6-5-7-13(15)11(12)3/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyHMTIBLIKGAOYIZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds5

About 3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide

3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide (PubChem CID 55116859) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
PubChem CID55116859
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NCCN(C)C(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)17(4)9-8-16-14(18)12-6-5-7-13(15)11(12)3/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyHMTIBLIKGAOYIZ-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide
CID 62781908
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 62641512
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106047668
6-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 62641371
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide
CID 62783548
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878729
5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106052842
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
CID 64824842
3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 106000870
(2S)-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62639882
3-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074150
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 65053094

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide (CID 55116859) is 3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide is CC1C(N)CCCC1C(=O)NCCN(C)C(C)C.
What is the InChIKey of 3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide?
The InChIKey is HMTIBLIKGAOYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(2)17(4)9-8-16-14(18)12-6-5-7-13(15)11(12)3/h10-13H,5-9,15H2,1-4H3,(H,16,18).
What are the key properties of 3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide?
3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55116859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).