N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide

C15H30N2O — CID 61349316

IUPACN-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CC)CCN)CC1
InChIInChI=1S/C15H30N2O/c1-3-5-6-13-7-9-14(10-8-13)15(18)17(4-2)12-11-16/h13-14H,3-12,16H2,1-2H3
InChIKeyYVKFTVZJQFPKFU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.79
Rot. Bonds7

About N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide

N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide (PubChem CID 61349316) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide
PubChem CID61349316
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CC)CCN)CC1
InChIInChI=1S/C15H30N2O/c1-3-5-6-13-7-9-14(10-8-13)15(18)17(4-2)12-11-16/h13-14H,3-12,16H2,1-2H3
InChIKeyYVKFTVZJQFPKFU-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107493564
N-(2-aminoethyl)-N-butylcyclooctanecarboxamide
CID 65020868
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102992877
N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide
CID 55220481
4-butyl-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 60644673
4-amino-N,N-dipentylcyclohexane-1-carboxamide
CID 60947028
N-(2-bromopropyl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 80665597
4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide
CID 102871981
4-[cyclopropylmethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63955071
4-butylcyclohexane-1-carbohydrazide
CID 2063620
methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate
CID 61030682
N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 102639138

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide (CID 61349316) is N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(CC)CCN)CC1.
What is the InChIKey of N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide?
The InChIKey is YVKFTVZJQFPKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-5-6-13-7-9-14(10-8-13)15(18)17(4-2)12-11-16/h13-14H,3-12,16H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide?
N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 61349316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).