(2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine

C17H29N — CID 139307934

IUPAC(2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine
SMILESC=C(/C=C/C=C(\C=C/C)CN(C)C(C)C)C(C)C
InChIInChI=1S/C17H29N/c1-8-10-17(13-18(7)15(4)5)12-9-11-16(6)14(2)3/h8-12,14-15H,6,13H2,1-5,7H3/b10-8-,11-9+,17-12+
InChIKeyXOFBSSRLEJJVRM-UDWSXRLRSA-N
MW247.43 g/mol
LogP4.60
Rot. Bonds7

About (2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine

(2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine (PubChem CID 139307934) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine
PubChem CID139307934
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine
SMILESC=C(/C=C/C=C(\C=C/C)CN(C)C(C)C)C(C)C
InChIInChI=1S/C17H29N/c1-8-10-17(13-18(7)15(4)5)12-9-11-16(6)14(2)3/h8-12,14-15H,6,13H2,1-5,7H3/b10-8-,11-9+,17-12+
InChIKeyXOFBSSRLEJJVRM-UDWSXRLRSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine (CID 139307934) is (2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine is C=C(/C=C/C=C(\C=C/C)CN(C)C(C)C)C(C)C.
What is the InChIKey of (2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine?
The InChIKey is XOFBSSRLEJJVRM-UDWSXRLRSA-N. The full InChI is InChI=1S/C17H29N/c1-8-10-17(13-18(7)15(4)5)12-9-11-16(6)14(2)3/h8-12,14-15H,6,13H2,1-5,7H3/b10-8-,11-9+,17-12+.
What are the key properties of (2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine?
(2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine is sourced from PubChem (CID 139307934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).