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

C18H35N3 — CID 142205316

IUPAC1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine
SMILESC=C(C)C(C)[C@@H](CC(C)C)C(=C)N1CCCCN1.C=CN
InChIInChI=1S/C16H30N2.C2H5N/c1-12(2)11-16(14(5)13(3)4)15(6)18-10-8-7-9-17-18;1-2-3/h12,14,16-17H,3,6-11H2,1-2,4-5H3;2H,1,3H2/t14?,16-;/m1./s1
InChIKeyFSKGERKPEAHRPL-BXWZNKKMSA-N
MW293.50 g/mol
LogP4.06
Rot. Bonds6

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

1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine (PubChem CID 142205316) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine.

Molecular Properties

Compound Name1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine
PubChem CID142205316
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine
SMILESC=C(C)C(C)[C@@H](CC(C)C)C(=C)N1CCCCN1.C=CN
InChIInChI=1S/C16H30N2.C2H5N/c1-12(2)11-16(14(5)13(3)4)15(6)18-10-8-7-9-17-18;1-2-3/h12,14,16-17H,3,6-11H2,1-2,4-5H3;2H,1,3H2/t14?,16-;/m1./s1
InChIKeyFSKGERKPEAHRPL-BXWZNKKMSA-N
XLogP4.06
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methylpropyl)octa-1,6,7-trien-2-yl]piperidin-1-amine
CID 144026049
(Z)-1-[amino(5-methylheptyl)amino]hept-1-en-2-amine;ethene
CID 144493060
(Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene
CID 144944957
3-but-2-en-2-yl-2,2,4,6,6-pentamethyl-N-prop-1-enylpiperidin-1-amine
CID 150685540
1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane
CID 142205317
2-Methyl-1-nonyl-1-(3-octyldodeca-1,11-dien-2-yl)hydrazine
CID 167511061

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine?
The IUPAC name of 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine (CID 142205316) is 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine.
What is the SMILES notation for 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine?
The canonical SMILES for 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine is C=C(C)C(C)[C@@H](CC(C)C)C(=C)N1CCCCN1.C=CN.
What is the InChIKey of 1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine?
The InChIKey is FSKGERKPEAHRPL-BXWZNKKMSA-N. The full InChI is InChI=1S/C16H30N2.C2H5N/c1-12(2)11-16(14(5)13(3)4)15(6)18-10-8-7-9-17-18;1-2-3/h12,14,16-17H,3,6-11H2,1-2,4-5H3;2H,1,3H2/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;ethenamine?
1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine has a molecular weight of 293.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 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;ethenamine is sourced from PubChem (CID 142205316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).