ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine

C18H32N2 — CID 155702969

IUPACethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine
SMILESC/C=C(C)\C=C/C1=C(C)CC2(CCNCC2)C1N.CC
InChIInChI=1S/C16H26N2.C2H6/c1-4-12(2)5-6-14-13(3)11-16(15(14)17)7-9-18-10-8-16;1-2/h4-6,15,18H,7-11,17H2,1-3H3;1-2H3/b6-5-,12-4-;
InChIKeyVQPSFRLZENNGAV-BWUFFIINSA-N
MW276.47 g/mol
LogP3.95
Rot. Bonds2

About ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine

ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine (PubChem CID 155702969) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine.

Molecular Properties

Compound Nameethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine
PubChem CID155702969
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Nameethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine
SMILESC/C=C(C)\C=C/C1=C(C)CC2(CCNCC2)C1N.CC
InChIInChI=1S/C16H26N2.C2H6/c1-4-12(2)5-6-14-13(3)11-16(15(14)17)7-9-18-10-8-16;1-2/h4-6,15,18H,7-11,17H2,1-3H3;1-2H3/b6-5-,12-4-;
InChIKeyVQPSFRLZENNGAV-BWUFFIINSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine?
The IUPAC name of ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine (CID 155702969) is ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine.
What is the SMILES notation for ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine?
The canonical SMILES for ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine is C/C=C(C)\C=C/C1=C(C)CC2(CCNCC2)C1N.CC.
What is the InChIKey of ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine?
The InChIKey is VQPSFRLZENNGAV-BWUFFIINSA-N. The full InChI is InChI=1S/C16H26N2.C2H6/c1-4-12(2)5-6-14-13(3)11-16(15(14)17)7-9-18-10-8-16;1-2/h4-6,15,18H,7-11,17H2,1-3H3;1-2H3/b6-5-,12-4-;.
What are the key properties of ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine?
ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine has a molecular weight of 276.47 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine is sourced from PubChem (CID 155702969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).