1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine

C20H26N2O2 — CID 3839523

IUPAC1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
SMILESc1ccc(CONC2CCCCC2NOCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)22-24-16-18-11-5-2-6-12-18/h1-6,9-12,19-22H,7-8,13-16H2
InChIKeyNNKZYGHECWANDD-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.74
Rot. Bonds8

About 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine

1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine (PubChem CID 3839523) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
PubChem CID3839523
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
SMILESc1ccc(CONC2CCCCC2NOCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)22-24-16-18-11-5-2-6-12-18/h1-6,9-12,19-22H,7-8,13-16H2
InChIKeyNNKZYGHECWANDD-UHFFFAOYSA-N
XLogP3.74
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine;dihydrochloride
CID 131665573
2-methylidene-N-phenylmethoxycyclopentan-1-amine
CID 10726841
azane;cyclopentyloxymethylbenzene
CID 69411306
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82708859
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
(1S,2R,3R,4R,6S)-2,4-bis(phenylmethoxy)-6-(phenylmethoxyamino)cyclohexane-1,3-diol
CID 15755845
1-methyl-N-phenylmethoxypiperidin-3-amine
CID 82710116
cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine
CID 124857330

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine (CID 3839523) is 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine is c1ccc(CONC2CCCCC2NOCc2ccccc2)cc1.
What is the InChIKey of 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine?
The InChIKey is NNKZYGHECWANDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)22-24-16-18-11-5-2-6-12-18/h1-6,9-12,19-22H,7-8,13-16H2.
What are the key properties of 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine?
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine has a molecular weight of 326.44 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine is sourced from PubChem (CID 3839523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).