N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine

C14H21N5O — CID 44615786

IUPACN-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCOc1ccc(CNc2nnnn2CCC)cc1
InChIInChI=1S/C14H21N5O/c1-3-9-19-14(16-17-18-19)15-11-12-5-7-13(8-6-12)20-10-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,15,16,18)
InChIKeyPAIHWHMRHWFTPI-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.48
Rot. Bonds8

About N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine

N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 44615786) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID44615786
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCOc1ccc(CNc2nnnn2CCC)cc1
InChIInChI=1S/C14H21N5O/c1-3-9-19-14(16-17-18-19)15-11-12-5-7-13(8-6-12)20-10-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,15,16,18)
InChIKeyPAIHWHMRHWFTPI-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(4-phenylmethoxyphenyl)methyl]tetrazol-5-amine
CID 4727455
1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
CID 4726983
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
CID 4727264
N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726685
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4725619
2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 960277
2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol
CID 39860848
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4727254
(4-propoxyphenyl)methylhydrazine
CID 53401453
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine
CID 126806210

Frequently Asked Questions

What is the IUPAC name of N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine (CID 44615786) is N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine is CCCOc1ccc(CNc2nnnn2CCC)cc1.
What is the InChIKey of N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is PAIHWHMRHWFTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-9-19-14(16-17-18-19)15-11-12-5-7-13(8-6-12)20-10-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,15,16,18).
What are the key properties of N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine?
N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 275.36 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 44615786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).