(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane

C13H28N4 — CID 145198026

IUPAC(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane
SMILESC/C(N)=C/C=C(\N)N1CCC(N)C(C)C1.CC
InChIInChI=1S/C11H22N4.C2H6/c1-8-7-15(6-5-10(8)13)11(14)4-3-9(2)12;1-2/h3-4,8,10H,5-7,12-14H2,1-2H3;1-2H3/b9-3-,11-4+;
InChIKeyGUVKSHMFFWXTBT-BPMLPNQQSA-N
MW240.39 g/mol
LogP1.34
Rot. Bonds2

About (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane

(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane (PubChem CID 145198026) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane.

Molecular Properties

Compound Name(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane
PubChem CID145198026
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane
SMILESC/C(N)=C/C=C(\N)N1CCC(N)C(C)C1.CC
InChIInChI=1S/C11H22N4.C2H6/c1-8-7-15(6-5-10(8)13)11(14)4-3-9(2)12;1-2/h3-4,8,10H,5-7,12-14H2,1-2H3;1-2H3/b9-3-,11-4+;
InChIKeyGUVKSHMFFWXTBT-BPMLPNQQSA-N
XLogP1.34
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 145198027
1-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]pyrrolidin-3-ol;ethane
CID 145197855
1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060
(1E,3Z)-1-[4-(dimethylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406903
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
ethane;(1E,3Z)-1-[3-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197589
1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen
CID 176946053
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
1-hydroxy-3-methylpiperidin-4-amine
CID 70254159
1-(4-amino-3-methylpiperidin-1-yl)hexa-2,4-dien-1-one
CID 79879745
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane?
The IUPAC name of (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane (CID 145198026) is (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane.
What is the SMILES notation for (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane?
The canonical SMILES for (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane is C/C(N)=C/C=C(\N)N1CCC(N)C(C)C1.CC.
What is the InChIKey of (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane?
The InChIKey is GUVKSHMFFWXTBT-BPMLPNQQSA-N. The full InChI is InChI=1S/C11H22N4.C2H6/c1-8-7-15(6-5-10(8)13)11(14)4-3-9(2)12;1-2/h3-4,8,10H,5-7,12-14H2,1-2H3;1-2H3/b9-3-,11-4+;.
What are the key properties of (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane?
(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane has a molecular weight of 240.39 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane is sourced from PubChem (CID 145198026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).