N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine

C20H23N5 — CID 86931382

IUPACN-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine
SMILESc1ccc(CCN(Cc2ccccc2)Cc2nnnn2C2CC2)cc1
InChIInChI=1S/C20H23N5/c1-3-7-17(8-4-1)13-14-24(15-18-9-5-2-6-10-18)16-20-21-22-23-25(20)19-11-12-19/h1-10,19H,11-16H2
InChIKeyKIULYLZUNZCQBZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.25
Rot. Bonds8

About N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine

N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine (PubChem CID 86931382) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine
PubChem CID86931382
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine
SMILESc1ccc(CCN(Cc2ccccc2)Cc2nnnn2C2CC2)cc1
InChIInChI=1S/C20H23N5/c1-3-7-17(8-4-1)13-14-24(15-18-9-5-2-6-10-18)16-20-21-22-23-25(20)19-11-12-19/h1-10,19H,11-16H2
InChIKeyKIULYLZUNZCQBZ-UHFFFAOYSA-N
XLogP3.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
CID 86922330
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(2-phenylethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1170713
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
2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol
CID 111121816
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
CID 86827304
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
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
2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol
CID 111423138
1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole
CID 36543584
N-cyclopropyl-4-[[(1-cyclopropyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 55994501

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine (CID 86931382) is N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine is c1ccc(CCN(Cc2ccccc2)Cc2nnnn2C2CC2)cc1.
What is the InChIKey of N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine?
The InChIKey is KIULYLZUNZCQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-3-7-17(8-4-1)13-14-24(15-18-9-5-2-6-10-18)16-20-21-22-23-25(20)19-11-12-19/h1-10,19H,11-16H2.
What are the key properties of N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine?
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine has a molecular weight of 333.44 g/mol, XLogP of 3.25, 8 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]-2-phenylethanamine is sourced from PubChem (CID 86931382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).