N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide

C14H24N2 — CID 170199746

IUPACN-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide
SMILESC/C=C\C(=C/C=C/CC)\N=C\N(C)C(C)C
InChIInChI=1S/C14H24N2/c1-6-8-9-11-14(10-7-2)15-12-16(5)13(3)4/h7-13H,6H2,1-5H3/b9-8+,10-7-,14-11+,15-12+
InChIKeyBZEAGJXAODCSTN-KIPVVRQNSA-N
MW220.36 g/mol
LogP3.78
Rot. Bonds6

About N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide

N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide (PubChem CID 170199746) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide
PubChem CID170199746
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide
SMILESC/C=C\C(=C/C=C/CC)\N=C\N(C)C(C)C
InChIInChI=1S/C14H24N2/c1-6-8-9-11-14(10-7-2)15-12-16(5)13(3)4/h7-13H,6H2,1-5H3/b9-8+,10-7-,14-11+,15-12+
InChIKeyBZEAGJXAODCSTN-KIPVVRQNSA-N
XLogP3.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide?
The IUPAC name of N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide (CID 170199746) is N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide?
The canonical SMILES for N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide is C/C=C\C(=C/C=C/CC)\N=C\N(C)C(C)C.
What is the InChIKey of N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide?
The InChIKey is BZEAGJXAODCSTN-KIPVVRQNSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-8-9-11-14(10-7-2)15-12-16(5)13(3)4/h7-13H,6H2,1-5H3/b9-8+,10-7-,14-11+,15-12+.
What are the key properties of N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide?
N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide has a molecular weight of 220.36 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 170199746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).