N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide

C15H26N2 — CID 123512382

IUPACN-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide
SMILESC=CC=C(C)C(C)(C(=C)N/C(C)=N/C)C(C)C
InChIInChI=1S/C15H26N2/c1-9-10-12(4)15(7,11(2)3)13(5)17-14(6)16-8/h9-11H,1,5H2,2-4,6-8H3,(H,16,17)
InChIKeyRMQUYTPNFOFVRF-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.93
Rot. Bonds5

About N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide

N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide (PubChem CID 123512382) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide
PubChem CID123512382
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide
SMILESC=CC=C(C)C(C)(C(=C)N/C(C)=N/C)C(C)C
InChIInChI=1S/C15H26N2/c1-9-10-12(4)15(7,11(2)3)13(5)17-14(6)16-8/h9-11H,1,5H2,2-4,6-8H3,(H,16,17)
InChIKeyRMQUYTPNFOFVRF-UHFFFAOYSA-N
XLogP3.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
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

N-[(4E)-3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl]-N'-methylethanimidamide
CID 88572439
(5Z)-4,7-ditert-butyl-5-ethylidene-2-methyl-1,4-dihydro-1,3-diazepine
CID 123273723
N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide
CID 134214393
3-ethyl-N,4,6-trimethyl-3,4-dihydro-1H-pyridin-2-imine
CID 137119405
(4Z,6Z,8Z,10E)-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyl-1-methylidene-3a,11a-dihydrocyclodeca[c]pyrrol-3-imine
CID 156263090
(3R)-5-ethenyl-3,6-dimethyl-N-[(1E,3Z)-4-methylcycloocta-1,3,6-trien-1-yl]-3,4-dihydropyridin-2-amine
CID 173961381
N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
CID 142469666
N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide
CID 143871760

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide?
The IUPAC name of N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide (CID 123512382) is N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide.
What is the SMILES notation for N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide?
The canonical SMILES for N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide is C=CC=C(C)C(C)(C(=C)N/C(C)=N/C)C(C)C.
What is the InChIKey of N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide?
The InChIKey is RMQUYTPNFOFVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-9-10-12(4)15(7,11(2)3)13(5)17-14(6)16-8/h9-11H,1,5H2,2-4,6-8H3,(H,16,17).
What are the key properties of N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide?
N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide has a molecular weight of 234.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide is sourced from PubChem (CID 123512382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).