1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine

C13H19N5 — CID 79007809

IUPAC1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine
SMILESCCC(Cc1ccccc1)NC(C)c1nn[nH]n1
InChIInChI=1S/C13H19N5/c1-3-12(9-11-7-5-4-6-8-11)14-10(2)13-15-17-18-16-13/h4-8,10,12,14H,3,9H2,1-2H3,(H,15,16,17,18)
InChIKeyJKTYEOUPXUAJTP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.87
Rot. Bonds6

About 1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine

1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine (PubChem CID 79007809) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine
PubChem CID79007809
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine
SMILESCCC(Cc1ccccc1)NC(C)c1nn[nH]n1
InChIInChI=1S/C13H19N5/c1-3-12(9-11-7-5-4-6-8-11)14-10(2)13-15-17-18-16-13/h4-8,10,12,14H,3,9H2,1-2H3,(H,15,16,17,18)
InChIKeyJKTYEOUPXUAJTP-UHFFFAOYSA-N
XLogP1.87
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 123160214
1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 114829652
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-2-amine
CID 81354706
1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine
CID 79007375
ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole
CID 178128816
N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine
CID 81363641
4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine
CID 79009148
2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 70868647
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499935
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513
ethyl 2-(1-phenylbutan-2-ylamino)propanoate
CID 79008142

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine?
The IUPAC name of 1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine (CID 79007809) is 1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine.
What is the SMILES notation for 1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine?
The canonical SMILES for 1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine is CCC(Cc1ccccc1)NC(C)c1nn[nH]n1.
What is the InChIKey of 1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine?
The InChIKey is JKTYEOUPXUAJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-12(9-11-7-5-4-6-8-11)14-10(2)13-15-17-18-16-13/h4-8,10,12,14H,3,9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine?
1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine is sourced from PubChem (CID 79007809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).