4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide

C14H27N5O — CID 106282590

IUPAC4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCC(CCN)C(C)(C)C)c1ncn[nH]1
InChIInChI=1S/C14H27N5O/c1-10(13-16-9-17-19-13)18-12(20)6-5-11(7-8-15)14(2,3)4/h9-11H,5-8,15H2,1-4H3,(H,18,20)(H,16,17,19)
InChIKeyLHXVMLIHWBQIOE-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.77
Rot. Bonds7

About 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide

4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide (PubChem CID 106282590) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
PubChem CID106282590
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCC(CCN)C(C)(C)C)c1ncn[nH]1
InChIInChI=1S/C14H27N5O/c1-10(13-16-9-17-19-13)18-12(20)6-5-11(7-8-15)14(2,3)4/h9-11H,5-8,15H2,1-4H3,(H,18,20)(H,16,17,19)
InChIKeyLHXVMLIHWBQIOE-UHFFFAOYSA-N
XLogP1.77
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282651
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 105056271
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
CID 106388297
4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
CID 104619122
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
CID 103722955
4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide
CID 83177791
3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 113246893
(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282665
3-(2-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 107329630
3-(3,4-difluorophenyl)sulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725841

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide (CID 106282590) is 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide is CC(NC(=O)CCC(CCN)C(C)(C)C)c1ncn[nH]1.
What is the InChIKey of 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
The InChIKey is LHXVMLIHWBQIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-10(13-16-9-17-19-13)18-12(20)6-5-11(7-8-15)14(2,3)4/h9-11H,5-8,15H2,1-4H3,(H,18,20)(H,16,17,19).
What are the key properties of 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide has a molecular weight of 281.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide is sourced from PubChem (CID 106282590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).