N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine

C14H21N5O — CID 103604297

IUPACN-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine
SMILESCC(C)COCCCNc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5O/c1-12(2)11-20-10-6-9-15-14-16-17-18-19(14)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,15,16,18)
InChIKeySRNJVNOLDHGAHR-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.14
Rot. Bonds8

About N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine

N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine (PubChem CID 103604297) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine
PubChem CID103604297
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine
SMILESCC(C)COCCCNc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5O/c1-12(2)11-20-10-6-9-15-14-16-17-18-19(14)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,15,16,18)
InChIKeySRNJVNOLDHGAHR-UHFFFAOYSA-N
XLogP2.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine
CID 106244044
1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
CID 9107188
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
CID 133459238
3-(2-methylpropoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one
CID 55689866
N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133472424
4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine
CID 106582396
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 81077703
N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133412491
3-butoxy-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 115573451

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine (CID 103604297) is N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine is CC(C)COCCCNc1nnnn1-c1ccccc1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine?
The InChIKey is SRNJVNOLDHGAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-12(2)11-20-10-6-9-15-14-16-17-18-19(14)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,15,16,18).
What are the key properties of N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine?
N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine has a molecular weight of 275.36 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 103604297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).