(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane

C12H20N2 — CID 144825298

IUPAC(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane
SMILESC[C@@H]1CCCN(CC2C=CC=CC2)N1
InChIInChI=1S/C12H20N2/c1-11-6-5-9-14(13-11)10-12-7-3-2-4-8-12/h2-4,7,11-13H,5-6,8-10H2,1H3/t11-,12?/m1/s1
InChIKeyAOZWSXHAEJBDBN-JHJMLUEUSA-N
MW192.31 g/mol
LogP2.11
Rot. Bonds2

About (3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane

(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane (PubChem CID 144825298) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane.

Molecular Properties

Compound Name(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane
PubChem CID144825298
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane
SMILESC[C@@H]1CCCN(CC2C=CC=CC2)N1
InChIInChI=1S/C12H20N2/c1-11-6-5-9-14(13-11)10-12-7-3-2-4-8-12/h2-4,7,11-13H,5-6,8-10H2,1H3/t11-,12?/m1/s1
InChIKeyAOZWSXHAEJBDBN-JHJMLUEUSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine
CID 143466131
1-Pentyl-2,3,3a,7a-tetrahydroindazole
CID 67804902
(1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
CID 89474047
9-Methyl-1,2-diazabicyclo[3.3.1]non-6-ene
CID 90909223
4-(1-Ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
CID 123529143
4-(1-Methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
CID 123942003
4-N-cyclohexa-2,4-dien-1-ylpiperidine-1,4-diamine
CID 141880731
[1-(Cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-yl]hydrazine
CID 144196811
1-[(6-Methylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine
CID 153654591
3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine
CID 154385450
N,2-dimethyl-4a,8a-dihydro-2H-quinolin-1-amine
CID 163705288
1-piperidin-4-yl-1-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]hydrazine
CID 166677229

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane?
The IUPAC name of (3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane (CID 144825298) is (3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane.
What is the SMILES notation for (3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane?
The canonical SMILES for (3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane is C[C@@H]1CCCN(CC2C=CC=CC2)N1.
What is the InChIKey of (3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane?
The InChIKey is AOZWSXHAEJBDBN-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-6-5-9-14(13-11)10-12-7-3-2-4-8-12/h2-4,7,11-13H,5-6,8-10H2,1H3/t11-,12?/m1/s1.
What are the key properties of (3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane?
(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane has a molecular weight of 192.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane is sourced from PubChem (CID 144825298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).