(2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine

C16H29NO — CID 146275949

IUPAC(2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine
SMILESC=C(/C=C\C=C(/C)OC)[C@H](CC)[C@@H](C)CN(C)C
InChIInChI=1S/C16H29NO/c1-8-16(14(3)12-17(5)6)13(2)10-9-11-15(4)18-7/h9-11,14,16H,2,8,12H2,1,3-7H3/b10-9-,15-11+/t14-,16-/m0/s1
InChIKeyINHNNEJHCQOWBR-SNRAKTFCSA-N
MW251.41 g/mol
LogP3.87
Rot. Bonds8

About (2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine

(2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine (PubChem CID 146275949) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine.

Molecular Properties

Compound Name(2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine
PubChem CID146275949
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine
SMILESC=C(/C=C\C=C(/C)OC)[C@H](CC)[C@@H](C)CN(C)C
InChIInChI=1S/C16H29NO/c1-8-16(14(3)12-17(5)6)13(2)10-9-11-15(4)18-7/h9-11,14,16H,2,8,12H2,1,3-7H3/b10-9-,15-11+/t14-,16-/m0/s1
InChIKeyINHNNEJHCQOWBR-SNRAKTFCSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine?
The IUPAC name of (2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine (CID 146275949) is (2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine.
What is the SMILES notation for (2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine?
The canonical SMILES for (2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine is C=C(/C=C\C=C(/C)OC)[C@H](CC)[C@@H](C)CN(C)C.
What is the InChIKey of (2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine?
The InChIKey is INHNNEJHCQOWBR-SNRAKTFCSA-N. The full InChI is InChI=1S/C16H29NO/c1-8-16(14(3)12-17(5)6)13(2)10-9-11-15(4)18-7/h9-11,14,16H,2,8,12H2,1,3-7H3/b10-9-,15-11+/t14-,16-/m0/s1.
What are the key properties of (2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine?
(2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine is sourced from PubChem (CID 146275949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).