(1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine

C20H36N4O — CID 134503160

IUPAC(1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine
SMILESC=C/C=C(N)\C=C1/CCCCN1CCN(C)CCCN1CCOCC1
InChIInChI=1S/C20H36N4O/c1-3-7-19(21)18-20-8-4-5-11-24(20)13-12-22(2)9-6-10-23-14-16-25-17-15-23/h3,7,18H,1,4-6,8-17,21H2,2H3/b19-7+,20-18+
InChIKeyHOHLPXUSVKUZPC-RSTVAJNISA-N
MW348.54 g/mol
LogP2.04
Rot. Bonds9

About (1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine

(1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine (PubChem CID 134503160) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is (1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine
PubChem CID134503160
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name(1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine
SMILESC=C/C=C(N)\C=C1/CCCCN1CCN(C)CCCN1CCOCC1
InChIInChI=1S/C20H36N4O/c1-3-7-19(21)18-20-8-4-5-11-24(20)13-12-22(2)9-6-10-23-14-16-25-17-15-23/h3,7,18H,1,4-6,8-17,21H2,2H3/b19-7+,20-18+
InChIKeyHOHLPXUSVKUZPC-RSTVAJNISA-N
XLogP2.04
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-morpholin-4-yl-N-propylpropan-1-amine
CID 146735339
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722
2-methyl-1-[methyl(3-morpholin-4-ylpropyl)amino]propan-2-ol
CID 111488087
(2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine
CID 143407588
N-methyl-N-[(3-methylcyclopropen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 171540310
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
N-carbamoyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 144630529
N'-hydroxy-2-[methyl(2-morpholin-4-ylethyl)amino]ethanimidamide
CID 76929225
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 158289932
1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 71925951

Frequently Asked Questions

What is the IUPAC name of (1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine?
The IUPAC name of (1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine (CID 134503160) is (1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine.
What is the SMILES notation for (1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine?
The canonical SMILES for (1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine is C=C/C=C(N)\C=C1/CCCCN1CCN(C)CCCN1CCOCC1.
What is the InChIKey of (1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine?
The InChIKey is HOHLPXUSVKUZPC-RSTVAJNISA-N. The full InChI is InChI=1S/C20H36N4O/c1-3-7-19(21)18-20-8-4-5-11-24(20)13-12-22(2)9-6-10-23-14-16-25-17-15-23/h3,7,18H,1,4-6,8-17,21H2,2H3/b19-7+,20-18+.
What are the key properties of (1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine?
(1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine has a molecular weight of 348.54 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine is sourced from PubChem (CID 134503160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).