3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide

C16H30N2O — CID 62808717

IUPAC3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
SMILESNCCC1CCCC(C(=O)NCC2CCCCC2)C1
InChIInChI=1S/C16H30N2O/c17-10-9-13-7-4-8-15(11-13)16(19)18-12-14-5-2-1-3-6-14/h13-15H,1-12,17H2,(H,18,19)
InChIKeyMRIDSVNYVLBEBV-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.84
Rot. Bonds5

About 3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide

3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide (PubChem CID 62808717) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
PubChem CID62808717
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
SMILESNCCC1CCCC(C(=O)NCC2CCCCC2)C1
InChIInChI=1S/C16H30N2O/c17-10-9-13-7-4-8-15(11-13)16(19)18-12-14-5-2-1-3-6-14/h13-15H,1-12,17H2,(H,18,19)
InChIKeyMRIDSVNYVLBEBV-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707789
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789913
3-(2-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071088
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62808704
3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 62806950
3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992458
3-amino-N-[(4-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 106135746
3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 62807667
3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106098538
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide (CID 62808717) is 3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide is NCCC1CCCC(C(=O)NCC2CCCCC2)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide?
The InChIKey is MRIDSVNYVLBEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c17-10-9-13-7-4-8-15(11-13)16(19)18-12-14-5-2-1-3-6-14/h13-15H,1-12,17H2,(H,18,19).
What are the key properties of 3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(cyclohexylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62808717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).