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

C14H19N5 — CID 86827304

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
SMILESCCN(Cc1nnnn1C1CC1)c1ccccc1C
InChIInChI=1S/C14H19N5/c1-3-18(13-7-5-4-6-11(13)2)10-14-15-16-17-19(14)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3
InChIKeyIOGQEGQGLANIRF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.34
Rot. Bonds5

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

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline (PubChem CID 86827304) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
PubChem CID86827304
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
SMILESCCN(Cc1nnnn1C1CC1)c1ccccc1C
InChIInChI=1S/C14H19N5/c1-3-18(13-7-5-4-6-11(13)2)10-14-15-16-17-19(14)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3
InChIKeyIOGQEGQGLANIRF-UHFFFAOYSA-N
XLogP2.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol
CID 110919036
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
CID 86922330
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 86922257
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 86989057
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 86931382
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
CID 66187611
N-[[4-[(1-cyclopropyltetrazol-5-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
CID 71872591
3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489168
1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole
CID 36543584
(1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
CID 94173205
N-cyclopropyl-N-ethyl-2-methylaniline
CID 123141006
2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline
CID 51112951

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline (CID 86827304) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline is CCN(Cc1nnnn1C1CC1)c1ccccc1C.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline?
The InChIKey is IOGQEGQGLANIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-18(13-7-5-4-6-11(13)2)10-14-15-16-17-19(14)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline has a molecular weight of 257.34 g/mol, XLogP of 2.34, 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-methylaniline is sourced from PubChem (CID 86827304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).