2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine

C13H23NO — CID 139317801

IUPAC2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine
SMILESC/C=C(C)\C=C/C(C)NC1CCOC1C
InChIInChI=1S/C13H23NO/c1-5-10(2)6-7-11(3)14-13-8-9-15-12(13)4/h5-7,11-14H,8-9H2,1-4H3/b7-6-,10-5-
InChIKeyMPZOIRNPLUNYAJ-BHHIIOOYSA-N
MW209.33 g/mol
LogP2.66
Rot. Bonds4

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

2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine (PubChem CID 139317801) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine
PubChem CID139317801
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine
SMILESC/C=C(C)\C=C/C(C)NC1CCOC1C
InChIInChI=1S/C13H23NO/c1-5-10(2)6-7-11(3)14-13-8-9-15-12(13)4/h5-7,11-14H,8-9H2,1-4H3/b7-6-,10-5-
InChIKeyMPZOIRNPLUNYAJ-BHHIIOOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.66
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 2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine (CID 139317801) is 2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine is C/C=C(C)\C=C/C(C)NC1CCOC1C.
What is the InChIKey of 2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine?
The InChIKey is MPZOIRNPLUNYAJ-BHHIIOOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-10(2)6-7-11(3)14-13-8-9-15-12(13)4/h5-7,11-14H,8-9H2,1-4H3/b7-6-,10-5-.
What are the key properties of 2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine?
2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine has a molecular weight of 209.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]oxolan-3-amine is sourced from PubChem (CID 139317801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).