N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine

C14H18ClN5 — CID 54145288

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine
SMILESCN(CC1(c2ccc(Cl)cc2)CCC1)c1nnn(C)n1
InChIInChI=1S/C14H18ClN5/c1-19(13-16-18-20(2)17-13)10-14(8-3-9-14)11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyODYGRQSFAHUJBV-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.42
Rot. Bonds4

About N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine (PubChem CID 54145288) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine
PubChem CID54145288
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine
SMILESCN(CC1(c2ccc(Cl)cc2)CCC1)c1nnn(C)n1
InChIInChI=1S/C14H18ClN5/c1-19(13-16-18-20(2)17-13)10-14(8-3-9-14)11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyODYGRQSFAHUJBV-UHFFFAOYSA-N
XLogP2.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine (CID 54145288) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine is CN(CC1(c2ccc(Cl)cc2)CCC1)c1nnn(C)n1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine?
The InChIKey is ODYGRQSFAHUJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-19(13-16-18-20(2)17-13)10-14(8-3-9-14)11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3.
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine has a molecular weight of 291.79 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N,2-dimethyltetrazol-5-amine is sourced from PubChem (CID 54145288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).