N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine

C16H26N2O — CID 90710826

IUPACN'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine
SMILESC=C(C=CCCNCC(=C)C=CC(=C)OC)CNC
InChIInChI=1S/C16H26N2O/c1-14(12-17-4)8-6-7-11-18-13-15(2)9-10-16(3)19-5/h6,8-10,17-18H,1-3,7,11-13H2,4-5H3
InChIKeyKYCISQJGSGLTNC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.57
Rot. Bonds11

About N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine

N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine (PubChem CID 90710826) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine.

Molecular Properties

Compound NameN'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine
PubChem CID90710826
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine
SMILESC=C(C=CCCNCC(=C)C=CC(=C)OC)CNC
InChIInChI=1S/C16H26N2O/c1-14(12-17-4)8-6-7-11-18-13-15(2)9-10-16(3)19-5/h6,8-10,17-18H,1-3,7,11-13H2,4-5H3
InChIKeyKYCISQJGSGLTNC-UHFFFAOYSA-N
XLogP2.57
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine
CID 54346570
(Z,2E)-5-methoxy-2-(2-methoxypropylidene)-N-methylhex-3-en-1-amine
CID 88274869
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
N-[(7,7-dimethylchromen-3-yl)methyl]prop-2-en-1-amine
CID 89651380
N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine
CID 123882157
(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
CID 130330265
(Z,2E)-2-(2-methoxyethylidene)-N-methylhex-3-en-1-amine
CID 132044562
(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine
CID 135225387
(3Z)-4-methoxy-N-[(Z)-3-methoxybut-2-enyl]hexa-3,5-dien-1-amine
CID 135294525
(2E,3E)-2-ethylidene-4-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142152851

Frequently Asked Questions

What is the IUPAC name of N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine?
The IUPAC name of N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine (CID 90710826) is N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine.
What is the SMILES notation for N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine?
The canonical SMILES for N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine is C=C(C=CCCNCC(=C)C=CC(=C)OC)CNC.
What is the InChIKey of N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine?
The InChIKey is KYCISQJGSGLTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(12-17-4)8-6-7-11-18-13-15(2)9-10-16(3)19-5/h6,8-10,17-18H,1-3,7,11-13H2,4-5H3.
What are the key properties of N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine?
N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.57, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine is sourced from PubChem (CID 90710826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).