N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine

C17H26N6O — CID 23824354

IUPACN'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(C(NCCN)c2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C17H26N6O/c1-24-15-9-7-13(8-10-15)16(19-12-11-18)17-20-21-22-23(17)14-5-3-2-4-6-14/h7-10,14,16,19H,2-6,11-12,18H2,1H3
InChIKeyZICXHRZXEOHCMB-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.82
Rot. Bonds7

About N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine

N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 23824354) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID23824354
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(C(NCCN)c2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C17H26N6O/c1-24-15-9-7-13(8-10-15)16(19-12-11-18)17-20-21-22-23(17)14-5-3-2-4-6-14/h7-10,14,16,19H,2-6,11-12,18H2,1H3
InChIKeyZICXHRZXEOHCMB-UHFFFAOYSA-N
XLogP1.82
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine
CID 3777246
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7383880
N-[(1-cyclohexyltetrazol-5-yl)-(4-prop-2-ynoxyphenyl)methyl]aniline
CID 171368932
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 92764820
1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208545
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443517
1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole
CID 647011
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383579
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208679
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 1443256
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383798
2-(3-but-3-ynyldiazirin-3-yl)-N-[(1-cyclohexyltetrazol-5-yl)-(2-ethyl-4-pyridinyl)methyl]ethanamine
CID 167985213

Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine (CID 23824354) is N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine is COc1ccc(C(NCCN)c2nnnn2C2CCCCC2)cc1.
What is the InChIKey of N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is ZICXHRZXEOHCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-24-15-9-7-13(8-10-15)16(19-12-11-18)17-20-21-22-23(17)14-5-3-2-4-6-14/h7-10,14,16,19H,2-6,11-12,18H2,1H3.
What are the key properties of N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine?
N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 330.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 23824354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).