(1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine

C11H21N3 — CID 134406497

IUPAC(1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCC[C@@H](C)C1
InChIInChI=1S/C11H21N3/c1-9-4-3-7-14(8-9)11(13)6-5-10(2)12/h5-6,9H,3-4,7-8,12-13H2,1-2H3/b10-5-,11-6+/t9-/m1/s1
InChIKeyPJDLMSNHYBCWFK-ZPEDOSNYSA-N
MW195.31 g/mol
LogP1.38
Rot. Bonds2

About (1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine

(1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine (PubChem CID 134406497) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine
PubChem CID134406497
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCC[C@@H](C)C1
InChIInChI=1S/C11H21N3/c1-9-4-3-7-14(8-9)11(13)6-5-10(2)12/h5-6,9H,3-4,7-8,12-13H2,1-2H3/b10-5-,11-6+/t9-/m1/s1
InChIKeyPJDLMSNHYBCWFK-ZPEDOSNYSA-N
XLogP1.38
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 145197707
(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine
CID 89153950
(2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine
CID 89336808
(1E,3Z)-5,5-dimethyl-1-(3-methylpiperidin-1-yl)hexa-1,3-diene-1,4-diamine
CID 134406414
(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406435
(1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406444
(1E,3Z)-1-[4-methyl-4-(methylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406446
(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine
CID 134406452
(1E,3Z)-1-(3-propylpiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406583
(1E,3Z)-1-[4-(dimethylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406903
(3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine
CID 142124667
(3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine
CID 142855721

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine (CID 134406497) is (1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCC[C@@H](C)C1.
What is the InChIKey of (1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine?
The InChIKey is PJDLMSNHYBCWFK-ZPEDOSNYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9-4-3-7-14(8-9)11(13)6-5-10(2)12/h5-6,9H,3-4,7-8,12-13H2,1-2H3/b10-5-,11-6+/t9-/m1/s1.
What are the key properties of (1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).