N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine

C19H33N — CID 139452636

IUPACN-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine
SMILESC=NC(C)(CC)C(C)(CC)C(/C=C\C)=C(C)/C(C)=C/C
InChIInChI=1S/C19H33N/c1-10-14-17(16(6)15(5)11-2)18(7,12-3)19(8,13-4)20-9/h10-11,14H,9,12-13H2,1-8H3/b14-10-,15-11+,17-16+
InChIKeyDLRZJDMOVYFEKU-JCRFBKOWSA-N
MW275.48 g/mol
LogP6.13
Rot. Bonds7

About N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine

N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine (PubChem CID 139452636) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine
PubChem CID139452636
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine
SMILESC=NC(C)(CC)C(C)(CC)C(/C=C\C)=C(C)/C(C)=C/C
InChIInChI=1S/C19H33N/c1-10-14-17(16(6)15(5)11-2)18(7,12-3)19(8,13-4)20-9/h10-11,14H,9,12-13H2,1-8H3/b14-10-,15-11+,17-16+
InChIKeyDLRZJDMOVYFEKU-JCRFBKOWSA-N
XLogP6.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine
CID 130341594
N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine
CID 137392045
4-ethyl-3-methyl-5-(2,3,3-trimethylbutan-2-yl)octa-2,4,6-triene
CID 91528395
4-ethyl-3-ethylidene-2,4-dimethylhex-1-ene
CID 123616269
(2Z,4E,6Z)-5,6-dimethylocta-2,4,6-trien-4-amine
CID 154950362
(E)-3,8,8-trimethyldec-2-ene-4,7-dione
CID 129132648
[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane
CID 166918085
(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
CID 157171896
methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene
CID 144531005
N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 162583769
(NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine
CID 89307445
(E)-5,5-dimethylhept-2-en-4-one
CID 88902655

Frequently Asked Questions

What is the IUPAC name of N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine?
The IUPAC name of N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine (CID 139452636) is N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine.
What is the SMILES notation for N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine?
The canonical SMILES for N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine is C=NC(C)(CC)C(C)(CC)C(/C=C\C)=C(C)/C(C)=C/C.
What is the InChIKey of N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine?
The InChIKey is DLRZJDMOVYFEKU-JCRFBKOWSA-N. The full InChI is InChI=1S/C19H33N/c1-10-14-17(16(6)15(5)11-2)18(7,12-3)19(8,13-4)20-9/h10-11,14H,9,12-13H2,1-8H3/b14-10-,15-11+,17-16+.
What are the key properties of N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine?
N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine has a molecular weight of 275.48 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine is sourced from PubChem (CID 139452636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).