N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline

C15H21N5 — CID 71887632

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline
SMILESCCN(Cc1nnnn1C1CC1)c1cc(C)ccc1C
InChIInChI=1S/C15H21N5/c1-4-19(14-9-11(2)5-6-12(14)3)10-15-16-17-18-20(15)13-7-8-13/h5-6,9,13H,4,7-8,10H2,1-3H3
InChIKeyDNIXOJLVUMVCMM-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.65
Rot. Bonds5

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline (PubChem CID 71887632) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline
PubChem CID71887632
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline
SMILESCCN(Cc1nnnn1C1CC1)c1cc(C)ccc1C
InChIInChI=1S/C15H21N5/c1-4-19(14-9-11(2)5-6-12(14)3)10-15-16-17-18-20(15)13-7-8-13/h5-6,9,13H,4,7-8,10H2,1-3H3
InChIKeyDNIXOJLVUMVCMM-UHFFFAOYSA-N
XLogP2.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline (CID 71887632) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline is CCN(Cc1nnnn1C1CC1)c1cc(C)ccc1C.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline?
The InChIKey is DNIXOJLVUMVCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-19(14-9-11(2)5-6-12(14)3)10-15-16-17-18-20(15)13-7-8-13/h5-6,9,13H,4,7-8,10H2,1-3H3.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline has a molecular weight of 271.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2,5-dimethylaniline is sourced from PubChem (CID 71887632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).