N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide

C17H30N2 — CID 149207201

IUPACN,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide
SMILESC=C(C)/C(C)=C\CC(C)C(C)/N=C(\C(=C)C)N(C)C
InChIInChI=1S/C17H30N2/c1-12(2)14(5)10-11-15(6)16(7)18-17(13(3)4)19(8)9/h10,15-16H,1,3,11H2,2,4-9H3/b14-10-,18-17+
InChIKeyXFVRDUGIIKJOPJ-JZWVJNRQSA-N
MW262.44 g/mol
LogP4.46
Rot. Bonds6

About N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide

N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide (PubChem CID 149207201) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide.

Molecular Properties

Compound NameN,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide
PubChem CID149207201
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide
SMILESC=C(C)/C(C)=C\CC(C)C(C)/N=C(\C(=C)C)N(C)C
InChIInChI=1S/C17H30N2/c1-12(2)14(5)10-11-15(6)16(7)18-17(13(3)4)19(8)9/h10,15-16H,1,3,11H2,2,4-9H3/b14-10-,18-17+
InChIKeyXFVRDUGIIKJOPJ-JZWVJNRQSA-N
XLogP4.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.46
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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Related Compounds

(2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine
CID 91425885
N,N,2-trimethyl-N'-(3,6,7-trimethylocta-5,7-dien-2-yl)prop-2-enimidamide
CID 123549512
1,2,3,7,8,9,10-Heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium
CID 123856563
[N-[N-[(Z,2E)-2-ethylidenepent-3-enyl]-C-methylcarbonimidoyl]-C-[(3E,6Z)-5-ethyl-2-methyl-6-(methyliminomethyl)octa-1,3,6-trien-3-yl]carbonimidoyl]-methyl-methylideneazanium
CID 174349432
2-hexan-2-yl-N,N-dimethyl-9aH-cyclohepta[d]pyrimidin-4-amine
CID 142228302

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide?
The IUPAC name of N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide (CID 149207201) is N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide.
What is the SMILES notation for N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide?
The canonical SMILES for N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide is C=C(C)/C(C)=C\CC(C)C(C)/N=C(\C(=C)C)N(C)C.
What is the InChIKey of N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide?
The InChIKey is XFVRDUGIIKJOPJ-JZWVJNRQSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)14(5)10-11-15(6)16(7)18-17(13(3)4)19(8)9/h10,15-16H,1,3,11H2,2,4-9H3/b14-10-,18-17+.
What are the key properties of N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide?
N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide has a molecular weight of 262.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-N'-[(5Z)-3,6,7-trimethylocta-5,7-dien-2-yl]prop-2-enimidamide is sourced from PubChem (CID 149207201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).