N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine

C15H27NO — CID 174305707

IUPACN-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine
SMILESCCC/C=C\C(C)=C(/NC1CCOC1)C(C)C
InChIInChI=1S/C15H27NO/c1-5-6-7-8-13(4)15(12(2)3)16-14-9-10-17-11-14/h7-8,12,14,16H,5-6,9-11H2,1-4H3/b8-7-,15-13-
InChIKeyPROWYEHYEAWMLM-PHJBAXJRSA-N
MW237.39 g/mol
LogP3.65
Rot. Bonds6

About N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine

N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine (PubChem CID 174305707) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine
PubChem CID174305707
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine
SMILESCCC/C=C\C(C)=C(/NC1CCOC1)C(C)C
InChIInChI=1S/C15H27NO/c1-5-6-7-8-13(4)15(12(2)3)16-14-9-10-17-11-14/h7-8,12,14,16H,5-6,9-11H2,1-4H3/b8-7-,15-13-
InChIKeyPROWYEHYEAWMLM-PHJBAXJRSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
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 N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine?
The IUPAC name of N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine (CID 174305707) is N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine.
What is the SMILES notation for N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine?
The canonical SMILES for N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine is CCC/C=C\C(C)=C(/NC1CCOC1)C(C)C.
What is the InChIKey of N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine?
The InChIKey is PROWYEHYEAWMLM-PHJBAXJRSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-6-7-8-13(4)15(12(2)3)16-14-9-10-17-11-14/h7-8,12,14,16H,5-6,9-11H2,1-4H3/b8-7-,15-13-.
What are the key properties of N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine?
N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-2,4-dimethylnona-3,5-dien-3-yl]oxolan-3-amine is sourced from PubChem (CID 174305707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).