N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline

C13H17N5 — CID 64920522

IUPACN-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
SMILESCCC(Nc1cccc(-n2cnnn2)c1)C1CC1
InChIInChI=1S/C13H17N5/c1-2-13(10-6-7-10)15-11-4-3-5-12(8-11)18-9-14-16-17-18/h3-5,8-10,13,15H,2,6-7H2,1H3
InChIKeyGIZAJTLUSMUMNI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds5

About N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline

N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline (PubChem CID 64920522) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
PubChem CID64920522
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
SMILESCCC(Nc1cccc(-n2cnnn2)c1)C1CC1
InChIInChI=1S/C13H17N5/c1-2-13(10-6-7-10)15-11-4-3-5-12(8-11)18-9-14-16-17-18/h3-5,8-10,13,15H,2,6-7H2,1H3
InChIKeyGIZAJTLUSMUMNI-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpropyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 64920339
N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
CID 43683982
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43781131
N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43684011
8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43683977
N-[1-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43683959
N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide
CID 119614861
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43683983
N-(1-cyclopropylpropyl)-3-propan-2-ylaniline
CID 64918380

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline (CID 64920522) is N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline is CCC(Nc1cccc(-n2cnnn2)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline?
The InChIKey is GIZAJTLUSMUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-13(10-6-7-10)15-11-4-3-5-12(8-11)18-9-14-16-17-18/h3-5,8-10,13,15H,2,6-7H2,1H3.
What are the key properties of N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline?
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline has a molecular weight of 243.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 64920522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).