(3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine

C16H30N2O — CID 155469278

IUPAC(3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)N(CCN1CCOCC1)CC(C)C
InChIInChI=1S/C16H30N2O/c1-5-6-7-16(4)18(14-15(2)3)9-8-17-10-12-19-13-11-17/h6-7,15H,4-5,8-14H2,1-3H3/b7-6-
InChIKeyHFZULNPYSYOTFS-SREVYHEPSA-N
MW266.43 g/mol
LogP2.76
Rot. Bonds8

About (3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine

(3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine (PubChem CID 155469278) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine
PubChem CID155469278
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)N(CCN1CCOCC1)CC(C)C
InChIInChI=1S/C16H30N2O/c1-5-6-7-16(4)18(14-15(2)3)9-8-17-10-12-19-13-11-17/h6-7,15H,4-5,8-14H2,1-3H3/b7-6-
InChIKeyHFZULNPYSYOTFS-SREVYHEPSA-N
XLogP2.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine (CID 155469278) is (3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine is C=C(/C=C\CC)N(CCN1CCOCC1)CC(C)C.
What is the InChIKey of (3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine?
The InChIKey is HFZULNPYSYOTFS-SREVYHEPSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-6-7-16(4)18(14-15(2)3)9-8-17-10-12-19-13-11-17/h6-7,15H,4-5,8-14H2,1-3H3/b7-6-.
What are the key properties of (3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine?
(3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine has a molecular weight of 266.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine is sourced from PubChem (CID 155469278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).