3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide

C17H35N3O — CID 62806950

IUPAC3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
SMILESCC(C)N(C)CCCCNC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C17H35N3O/c1-14(2)20(3)12-5-4-11-19-17(21)16-8-6-7-15(13-16)9-10-18/h14-16H,4-13,18H2,1-3H3,(H,19,21)
InChIKeyCLZXATGTUINUBU-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.38
Rot. Bonds9

About 3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide

3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide (PubChem CID 62806950) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
PubChem CID62806950
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
SMILESCC(C)N(C)CCCCNC(=O)C1CCCC(CCN)C1
InChIInChI=1S/C17H35N3O/c1-14(2)20(3)12-5-4-11-19-17(21)16-8-6-7-15(13-16)9-10-18/h14-16H,4-13,18H2,1-3H3,(H,19,21)
InChIKeyCLZXATGTUINUBU-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 62808717
3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992458
3-(2-aminoethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclohexane-1-carboxamide
CID 62807128
3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707789
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62808704
3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 62807667
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 82960840
3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106039169
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 62641512
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106047668

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide (CID 62806950) is 3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide is CC(C)N(C)CCCCNC(=O)C1CCCC(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide?
The InChIKey is CLZXATGTUINUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-14(2)20(3)12-5-4-11-19-17(21)16-8-6-7-15(13-16)9-10-18/h14-16H,4-13,18H2,1-3H3,(H,19,21).
What are the key properties of 3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide has a molecular weight of 297.49 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62806950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).