(4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane

C14H26N2 — CID 163445315

IUPAC(4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane
SMILESCC(C)C1=CC[C@H](C[C@@H]2CCNCN2)CC1
InChIInChI=1S/C14H26N2/c1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-16-14/h5,11-12,14-16H,3-4,6-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyBBZZEVWQKRQGRM-JSGCOSHPSA-N
MW222.38 g/mol
LogP2.67
Rot. Bonds3

About (4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane

(4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane (PubChem CID 163445315) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane.

Molecular Properties

Compound Name(4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane
PubChem CID163445315
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane
SMILESCC(C)C1=CC[C@H](C[C@@H]2CCNCN2)CC1
InChIInChI=1S/C14H26N2/c1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-16-14/h5,11-12,14-16H,3-4,6-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyBBZZEVWQKRQGRM-JSGCOSHPSA-N
XLogP2.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane with MolForge

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Related Compounds

6-[6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine
CID 123269892
2-Chloro-4-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,3-diazinane
CID 123845159
N'-[1-[2-(4-fluoro-5-methylcyclohex-2-en-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]butyl]-N-methylmethanediamine
CID 144602079
5-(Cyclopenten-1-yl)-5-fluoro-2,7-dimethyl-1,2,3,4,4a,8,9,9a-octahydrocyclohepta[d]pyrimidine
CID 163833751
(4S,5S)-4-[(2S)-2-fluoro-6-methylhept-6-enyl]-2,5-dimethyl-1,3-diazinane
CID 173982963
4-[[(1S)-3-methylcyclohex-2-en-1-yl]methyl]piperidine
CID 68341237
4-[[(1S)-2-methylcyclohex-2-en-1-yl]methyl]piperidine
CID 68341244
1,2,3,4,4a,5,6,6a-Octahydrobenzo[h]quinazolin-2-amine
CID 68996606
(1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine
CID 70233333
N-methyl-3-pentan-2-ylcyclohex-3-en-1-amine
CID 89088348
7-Methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline
CID 89247734
4-methyl-N-[2-(6-methylpiperidin-3-yl)ethyl]cyclohex-3-en-1-amine
CID 89503250

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane?
The IUPAC name of (4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane (CID 163445315) is (4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane.
What is the SMILES notation for (4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane?
The canonical SMILES for (4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane is CC(C)C1=CC[C@H](C[C@@H]2CCNCN2)CC1.
What is the InChIKey of (4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane?
The InChIKey is BBZZEVWQKRQGRM-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-16-14/h5,11-12,14-16H,3-4,6-10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane?
(4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane has a molecular weight of 222.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(1R)-4-propan-2-ylcyclohex-3-en-1-yl]methyl]-1,3-diazinane is sourced from PubChem (CID 163445315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).