N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine

C18H32N2O — CID 143378322

IUPACN-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine
SMILESC=C(C)/C(=C\C=C(C)C)CNCCCNC1CCOCC1
InChIInChI=1S/C18H32N2O/c1-15(2)6-7-17(16(3)4)14-19-10-5-11-20-18-8-12-21-13-9-18/h6-7,18-20H,3,5,8-14H2,1-2,4H3/b17-7-
InChIKeyWBXOFGDKLJYYTQ-IDUWFGFVSA-N
MW292.47 g/mol
LogP3.20
Rot. Bonds9

About N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine

N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 143378322) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID143378322
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine
SMILESC=C(C)/C(=C\C=C(C)C)CNCCCNC1CCOCC1
InChIInChI=1S/C18H32N2O/c1-15(2)6-7-17(16(3)4)14-19-10-5-11-20-18-8-12-21-13-9-18/h6-7,18-20H,3,5,8-14H2,1-2,4H3/b17-7-
InChIKeyWBXOFGDKLJYYTQ-IDUWFGFVSA-N
XLogP3.20
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(oxan-4-yl)prop-1-ene-1,3-diamine
CID 118549012
1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine
CID 123724092
N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
CID 134473571
ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
CID 143376027
methanamine;N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine
CID 143378321
N-[(2Z,4Z)-4-(2,3,6,7-tetrahydro-1H-azepin-4-ylmethyl)hexa-2,4-dien-2-yl]oxan-4-amine
CID 176921934
5-Methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium
CID 3306152
N-(6-methylhept-5-en-2-yl)oxan-4-amine
CID 115710266
N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine
CID 142373684
N-[(3Z,5Z)-2-methylhepta-3,5-dienyl]-N-(oxan-4-yl)piperidin-4-amine
CID 142906944

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine (CID 143378322) is N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine is C=C(C)/C(=C\C=C(C)C)CNCCCNC1CCOCC1.
What is the InChIKey of N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is WBXOFGDKLJYYTQ-IDUWFGFVSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)6-7-17(16(3)4)14-19-10-5-11-20-18-8-12-21-13-9-18/h6-7,18-20H,3,5,8-14H2,1-2,4H3/b17-7-.
What are the key properties of N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine?
N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 143378322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).