N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine

C19H21N5 — CID 86922330

IUPACN-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
SMILESc1ccc(CN(Cc2ccccc2)Cc2nnnn2C2CC2)cc1
InChIInChI=1S/C19H21N5/c1-3-7-16(8-4-1)13-23(14-17-9-5-2-6-10-17)15-19-20-21-22-24(19)18-11-12-18/h1-10,18H,11-15H2
InChIKeyMBOFLAZTXJMKDN-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.21
Rot. Bonds7

About N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine

N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine (PubChem CID 86922330) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
PubChem CID86922330
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
SMILESc1ccc(CN(Cc2ccccc2)Cc2nnnn2C2CC2)cc1
InChIInChI=1S/C19H21N5/c1-3-7-16(8-4-1)13-23(14-17-9-5-2-6-10-17)15-19-20-21-22-24(19)18-11-12-18/h1-10,18H,11-15H2
InChIKeyMBOFLAZTXJMKDN-UHFFFAOYSA-N
XLogP3.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 86931382
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 86922257
3-[[benzyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1170793
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
CID 86827304
N-cyclopropyl-4-[[(1-cyclopropyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 55994501
1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol
CID 110919036
3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489168
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 86989057
6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 47069566
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
CID 66187611
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1464110
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171287

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine (CID 86922330) is N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine is c1ccc(CN(Cc2ccccc2)Cc2nnnn2C2CC2)cc1.
What is the InChIKey of N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine?
The InChIKey is MBOFLAZTXJMKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-7-16(8-4-1)13-23(14-17-9-5-2-6-10-17)15-19-20-21-22-24(19)18-11-12-18/h1-10,18H,11-15H2.
What are the key properties of N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine?
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine has a molecular weight of 319.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 86922330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).