(3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine

C15H26N2O — CID 143694645

IUPAC(3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine
SMILESC=C(NC)/C(=C\C(=C)C1CCNCC1)OC(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)18-15(13(4)16-5)10-12(3)14-6-8-17-9-7-14/h10-11,14,16-17H,3-4,6-9H2,1-2,5H3/b15-10+
InChIKeyNKNKMHKJWVWALN-XNTDXEJSSA-N
MW250.39 g/mol
LogP2.58
Rot. Bonds6

About (3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine

(3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine (PubChem CID 143694645) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine
PubChem CID143694645
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine
SMILESC=C(NC)/C(=C\C(=C)C1CCNCC1)OC(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)18-15(13(4)16-5)10-12(3)14-6-8-17-9-7-14/h10-11,14,16-17H,3-4,6-9H2,1-2,5H3/b15-10+
InChIKeyNKNKMHKJWVWALN-XNTDXEJSSA-N
XLogP2.58
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-morpholin-2-yl]cyclohexa-1,5-dien-1-amine
CID 68356676
5,6-dimethyl-3,4,6,7-tetrahydro-2H-1,4-benzoxazine
CID 89474162
6-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-3,4,6,7-tetrahydro-2H-1,4-benzoxazine
CID 118549050
5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
5-Propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine
CID 134321982
6-Methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine
CID 137483332
5-Propan-2-yloxy-3-[2-(propylamino)ethyl]cyclopenta-1,4-dien-1-amine
CID 139323439
(2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine
CID 143345893
1-[(2Z,4Z)-4-methoxy-1-piperidin-4-ylhepta-2,4-dien-3-yl]-1,2-dimethylhydrazine
CID 143792193
4-methyl-2,3,4,6-tetrahydro-1H-pyrano[3,4-b]pyridine
CID 146278352
(2E,4E)-5-[[5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methoxy]hexa-2,4-dien-2-amine
CID 164148835
ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine
CID 164573476

Frequently Asked Questions

What is the IUPAC name of (3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine (CID 143694645) is (3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine is C=C(NC)/C(=C\C(=C)C1CCNCC1)OC(C)C.
What is the InChIKey of (3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine?
The InChIKey is NKNKMHKJWVWALN-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)18-15(13(4)16-5)10-12(3)14-6-8-17-9-7-14/h10-11,14,16-17H,3-4,6-9H2,1-2,5H3/b15-10+.
What are the key properties of (3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine?
(3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-methyl-5-piperidin-4-yl-3-propan-2-yloxyhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143694645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).