N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine

C11H23N5 — CID 107053527

IUPACN-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCNCC(Cc1nnn(C)n1)C(C)(C)C
InChIInChI=1S/C11H23N5/c1-6-12-8-9(11(2,3)4)7-10-13-15-16(5)14-10/h9,12H,6-8H2,1-5H3
InChIKeyDSCLHLUHKKVOJH-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.02
Rot. Bonds5

About N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine

N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine (PubChem CID 107053527) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
PubChem CID107053527
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCNCC(Cc1nnn(C)n1)C(C)(C)C
InChIInChI=1S/C11H23N5/c1-6-12-8-9(11(2,3)4)7-10-13-15-16(5)14-10/h9,12H,6-8H2,1-5H3
InChIKeyDSCLHLUHKKVOJH-UHFFFAOYSA-N
XLogP1.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine 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

2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
N-ethyl-2,2-dimethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053097
N-ethyl-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107049227
2-[(4-bromophenyl)methyl]-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052967
N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
CID 107052906
2-methyl-N-[2-(2-methyltetrazol-5-yl)ethyl]propan-2-amine
CID 107049249
2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052846
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053035
1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol
CID 107057608
2-[(2-methyltetrazol-5-yl)methyl]-N-propylbutan-1-amine
CID 107052925
2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053428
N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052981

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine (CID 107053527) is N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine is CCNCC(Cc1nnn(C)n1)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The InChIKey is DSCLHLUHKKVOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-6-12-8-9(11(2,3)4)7-10-13-15-16(5)14-10/h9,12H,6-8H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 107053527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).