1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane

C16H30N2 — CID 142205317

IUPAC1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane
SMILESC=C(C)C(C)[C@@H](CC(C)C)C(=C)N1CCCCN1
InChIInChI=1S/C16H30N2/c1-12(2)11-16(14(5)13(3)4)15(6)18-10-8-7-9-17-18/h12,14,16-17H,3,6-11H2,1-2,4-5H3/t14?,16-/m1/s1
InChIKeyJFYHFTABEHNHKL-BZSJEYESSA-N
MW250.43 g/mol
LogP3.97
Rot. Bonds6

About 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane

1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane (PubChem CID 142205317) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane.

Molecular Properties

Compound Name1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane
PubChem CID142205317
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane
SMILESC=C(C)C(C)[C@@H](CC(C)C)C(=C)N1CCCCN1
InChIInChI=1S/C16H30N2/c1-12(2)11-16(14(5)13(3)4)15(6)18-10-8-7-9-17-18/h12,14,16-17H,3,6-11H2,1-2,4-5H3/t14?,16-/m1/s1
InChIKeyJFYHFTABEHNHKL-BZSJEYESSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane?
The IUPAC name of 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane (CID 142205317) is 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane.
What is the SMILES notation for 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane?
The canonical SMILES for 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane is C=C(C)C(C)[C@@H](CC(C)C)C(=C)N1CCCCN1.
What is the InChIKey of 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane?
The InChIKey is JFYHFTABEHNHKL-BZSJEYESSA-N. The full InChI is InChI=1S/C16H30N2/c1-12(2)11-16(14(5)13(3)4)15(6)18-10-8-7-9-17-18/h12,14,16-17H,3,6-11H2,1-2,4-5H3/t14?,16-/m1/s1.
What are the key properties of 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane?
1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane has a molecular weight of 250.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane is sourced from PubChem (CID 142205317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).