3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol

C15H21N5O — CID 111489168

IUPAC3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol
SMILESCN(Cc1nnnn1C1CC1)C(CCO)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-19(11-15-16-17-18-20(15)13-7-8-13)14(9-10-21)12-5-3-2-4-6-12/h2-6,13-14,21H,7-11H2,1H3
InChIKeyURTWJOUECWRVNU-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.56
Rot. Bonds7

About 3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol

3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol (PubChem CID 111489168) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol
PubChem CID111489168
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol
SMILESCN(Cc1nnnn1C1CC1)C(CCO)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-19(11-15-16-17-18-20(15)13-7-8-13)14(9-10-21)12-5-3-2-4-6-12/h2-6,13-14,21H,7-11H2,1H3
InChIKeyURTWJOUECWRVNU-UHFFFAOYSA-N
XLogP1.56
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
CID 86922330
1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol
CID 110919036
3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111489141
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 86922272
(1S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
CID 94173205
(3S)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519444
(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97256570
(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519445
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 86989057
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 86922257
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 86931382
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
CID 86827304

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol (CID 111489168) is 3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol is CN(Cc1nnnn1C1CC1)C(CCO)c1ccccc1.
What is the InChIKey of 3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol?
The InChIKey is URTWJOUECWRVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(11-15-16-17-18-20(15)13-7-8-13)14(9-10-21)12-5-3-2-4-6-12/h2-6,13-14,21H,7-11H2,1H3.
What are the key properties of 3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol?
3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol has a molecular weight of 287.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111489168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).