5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one

C13H25N5O — CID 107062124

IUPAC5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one
SMILESCn1nnc(CC(=O)CCC(CCN)C(C)(C)C)n1
InChIInChI=1S/C13H25N5O/c1-13(2,3)10(7-8-14)5-6-11(19)9-12-15-17-18(4)16-12/h10H,5-9,14H2,1-4H3
InChIKeyNPWNRUFNWUZCAJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.11
Rot. Bonds7

About 5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one

5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one (PubChem CID 107062124) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one
PubChem CID107062124
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one
SMILESCn1nnc(CC(=O)CCC(CCN)C(C)(C)C)n1
InChIInChI=1S/C13H25N5O/c1-13(2,3)10(7-8-14)5-6-11(19)9-12-15-17-18(4)16-12/h10H,5-9,14H2,1-4H3
InChIKeyNPWNRUFNWUZCAJ-UHFFFAOYSA-N
XLogP1.11
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one 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

6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062048
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
1-tert-butylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047104
4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061833
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062534
1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406
1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one
CID 107061940
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047263
N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide
CID 59768448
1-ethylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047098
3-(2-methyltetrazol-5-yl)propanoic acid
CID 22069179

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one?
The IUPAC name of 5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one (CID 107062124) is 5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one?
The canonical SMILES for 5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one is Cn1nnc(CC(=O)CCC(CCN)C(C)(C)C)n1.
What is the InChIKey of 5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one?
The InChIKey is NPWNRUFNWUZCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-13(2,3)10(7-8-14)5-6-11(19)9-12-15-17-18(4)16-12/h10H,5-9,14H2,1-4H3.
What are the key properties of 5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one?
5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one has a molecular weight of 267.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one is sourced from PubChem (CID 107062124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).