N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine

C13H20N6 — CID 66657935

IUPACN'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H20N6/c1-3-18(8-7-14)11(2)12-5-4-6-13(9-12)19-10-15-16-17-19/h4-6,9-11H,3,7-8,14H2,1-2H3
InChIKeyRAFYGDZHXSLQSU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.00
Rot. Bonds6

About N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine

N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine (PubChem CID 66657935) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine
PubChem CID66657935
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H20N6/c1-3-18(8-7-14)11(2)12-5-4-6-13(9-12)19-10-15-16-17-19/h4-6,9-11H,3,7-8,14H2,1-2H3
InChIKeyRAFYGDZHXSLQSU-UHFFFAOYSA-N
XLogP1.00
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid
CID 65064696
N'-[(1R)-1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;hydrochloride
CID 176718534
1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine
CID 65244795
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
4-ethylsulfanyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]butan-2-amine
CID 115725419
3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 43205101
4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
CID 106171764
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pent-3-yn-1-amine
CID 116642927
1-(3-propylphenyl)tetrazole
CID 130450814

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine (CID 66657935) is N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine is CCN(CCN)C(C)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine?
The InChIKey is RAFYGDZHXSLQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-18(8-7-14)11(2)12-5-4-6-13(9-12)19-10-15-16-17-19/h4-6,9-11H,3,7-8,14H2,1-2H3.
What are the key properties of N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine?
N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 66657935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).