N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine

C15H22N6 — CID 4726800

IUPACN-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H22N6/c1-4-11-21-15(17-18-19-21)16-12-13-7-9-14(10-8-13)20(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3,(H,16,17,19)
InChIKeyFGJLAHXKYFYUKJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.32
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine

N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine (PubChem CID 4726800) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
PubChem CID4726800
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H22N6/c1-4-11-21-15(17-18-19-21)16-12-13-7-9-14(10-8-13)20(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3,(H,16,17,19)
InChIKeyFGJLAHXKYFYUKJ-UHFFFAOYSA-N
XLogP2.32
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726685
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726668
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541765
N,N-diethyl-4-[[2-(1-methyltetrazol-5-yl)sulfanylethylamino]methyl]aniline;hydrochloride
CID 6458712
2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol
CID 39860848
N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664920
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
2-[2-chloro-6-ethoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539378
1-ethyl-N-[(4-phenylmethoxyphenyl)methyl]tetrazol-5-amine
CID 4727455
N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline
CID 82720600
1-ethyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
CID 4727838
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726516

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine (CID 4726800) is N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine is C=CCn1nnnc1NCc1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
The InChIKey is FGJLAHXKYFYUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-4-11-21-15(17-18-19-21)16-12-13-7-9-14(10-8-13)20(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3,(H,16,17,19).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine has a molecular weight of 286.38 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine is sourced from PubChem (CID 4726800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).