N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide

C16H32N2O — CID 55220481

IUPACN-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CCN)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-5-11-18(12-10-17)15(19)13-6-8-14(9-7-13)16(2,3)4/h13-14H,5-12,17H2,1-4H3
InChIKeyOKRTZJPIMBIKFY-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.04
Rot. Bonds5

About N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide

N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide (PubChem CID 55220481) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide
PubChem CID55220481
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CCN)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-5-11-18(12-10-17)15(19)13-6-8-14(9-7-13)16(2,3)4/h13-14H,5-12,17H2,1-4H3
InChIKeyOKRTZJPIMBIKFY-UHFFFAOYSA-N
XLogP3.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide (CID 55220481) is N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide is CCCN(CCN)C(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide?
The InChIKey is OKRTZJPIMBIKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-11-18(12-10-17)15(19)13-6-8-14(9-7-13)16(2,3)4/h13-14H,5-12,17H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide?
N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 55220481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).