N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine

C12H23NO — CID 129059958

IUPACN,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine
SMILESC/C=C\C(C)=C/C(C)OCCN(C)C
InChIInChI=1S/C12H23NO/c1-6-7-11(2)10-12(3)14-9-8-13(4)5/h6-7,10,12H,8-9H2,1-5H3/b7-6-,11-10-
InChIKeyBOKPCXKOIYKESD-QOXWLJPHSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds6

About N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine

N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine (PubChem CID 129059958) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine
PubChem CID129059958
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine
SMILESC/C=C\C(C)=C/C(C)OCCN(C)C
InChIInChI=1S/C12H23NO/c1-6-7-11(2)10-12(3)14-9-8-13(4)5/h6-7,10,12H,8-9H2,1-5H3/b7-6-,11-10-
InChIKeyBOKPCXKOIYKESD-QOXWLJPHSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
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,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine (CID 129059958) is N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine is C/C=C\C(C)=C/C(C)OCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine?
The InChIKey is BOKPCXKOIYKESD-QOXWLJPHSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-7-11(2)10-12(3)14-9-8-13(4)5/h6-7,10,12H,8-9H2,1-5H3/b7-6-,11-10-.
What are the key properties of N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine?
N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine is sourced from PubChem (CID 129059958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).