N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine

C21H25N5 — CID 57399061

IUPACN-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
SMILESc1ccc(C(NCc2nnnn2C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C21H25N5/c1-4-10-17(11-5-1)21(18-12-6-2-7-13-18)22-16-20-23-24-25-26(20)19-14-8-3-9-15-19/h1-2,4-7,10-13,19,21-22H,3,8-9,14-16H2
InChIKeyYFPLWHJKBYBQCC-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.06
Rot. Bonds6

About N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine

N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine (PubChem CID 57399061) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine.

Molecular Properties

Compound NameN-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
PubChem CID57399061
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
SMILESc1ccc(C(NCc2nnnn2C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C21H25N5/c1-4-10-17(11-5-1)21(18-12-6-2-7-13-18)22-16-20-23-24-25-26(20)19-14-8-3-9-15-19/h1-2,4-7,10-13,19,21-22H,3,8-9,14-16H2
InChIKeyYFPLWHJKBYBQCC-UHFFFAOYSA-N
XLogP4.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 86922272
methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate
CID 62109806
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)methyl]piperazine-1,4-diium
CID 7221369
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 30295231
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295905
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate
CID 30295899
1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295842

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine?
The IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine (CID 57399061) is N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine.
What is the SMILES notation for N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine?
The canonical SMILES for N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine is c1ccc(C(NCc2nnnn2C2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine?
The InChIKey is YFPLWHJKBYBQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-4-10-17(11-5-1)21(18-12-6-2-7-13-18)22-16-20-23-24-25-26(20)19-14-8-3-9-15-19/h1-2,4-7,10-13,19,21-22H,3,8-9,14-16H2.
What are the key properties of N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine?
N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine has a molecular weight of 347.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine is sourced from PubChem (CID 57399061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).