but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine

C19H38N2O — CID 144915416

IUPACbut-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)CN1CCOCC1.C=CCC.CC.CC
InChIInChI=1S/C11H18N2O.C4H8.2C2H6/c1-10(3-4-11(2)12)9-13-5-7-14-8-6-13;1-3-4-2;2*1-2/h3-4H,1-2,5-9,12H2;3H,1,4H2,2H3;2*1-2H3/b4-3-;;;
InChIKeyRWRHMLVQIOXQLZ-FGSKAQBVSA-N
MW310.53 g/mol
LogP4.54
Rot. Bonds5

About but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine

but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine (PubChem CID 144915416) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Namebut-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine
PubChem CID144915416
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Namebut-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)CN1CCOCC1.C=CCC.CC.CC
InChIInChI=1S/C11H18N2O.C4H8.2C2H6/c1-10(3-4-11(2)12)9-13-5-7-14-8-6-13;1-3-4-2;2*1-2/h3-4H,1-2,5-9,12H2;3H,1,4H2,2H3;2*1-2H3/b4-3-;;;
InChIKeyRWRHMLVQIOXQLZ-FGSKAQBVSA-N
XLogP4.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[(3Z)-3-methylpenta-1,3-dien-2-yl]morpholine
CID 134830691
5-Methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine
CID 19754038
N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine
CID 70333386
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylcyclohexa-1,5-dien-1-amine
CID 70974389
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-1,5-dien-1-amine
CID 70974397
4-(2,6-Dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine
CID 70974452
4-(2,6-Dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-amine
CID 70974459
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine
CID 70974489
(2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine
CID 88899217
(E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine
CID 88905152
(2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine
CID 88905167
(2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905269

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine?
The IUPAC name of but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine (CID 144915416) is but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C)CN1CCOCC1.C=CCC.CC.CC.
What is the InChIKey of but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine?
The InChIKey is RWRHMLVQIOXQLZ-FGSKAQBVSA-N. The full InChI is InChI=1S/C11H18N2O.C4H8.2C2H6/c1-10(3-4-11(2)12)9-13-5-7-14-8-6-13;1-3-4-2;2*1-2/h3-4H,1-2,5-9,12H2;3H,1,4H2,2H3;2*1-2H3/b4-3-;;;.
What are the key properties of but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine?
but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine has a molecular weight of 310.53 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethane;(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 144915416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).