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

C13H27N3O — CID 62641512

IUPAC4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
SMILESCC(C)N(C)CCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)16(3)9-8-15-13(17)11-4-6-12(14)7-5-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyFMPLEPWAGZJQFT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds5

About 4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide

4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide (PubChem CID 62641512) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
PubChem CID62641512
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
SMILESCC(C)N(C)CCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)16(3)9-8-15-13(17)11-4-6-12(14)7-5-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyFMPLEPWAGZJQFT-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 113267515
4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102
4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 113264018
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
4-[(4-aminocyclohexanecarbonyl)amino]-2-methylbutanoic acid
CID 80539751
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006
3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 55116859
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
(2S)-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62639882
4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
CID 61274922
3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 62781114

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide (CID 62641512) is 4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide is CC(C)N(C)CCNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide?
The InChIKey is FMPLEPWAGZJQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)16(3)9-8-15-13(17)11-4-6-12(14)7-5-11/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide?
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62641512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).