(Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine

C11H24N4 — CID 118569104

IUPAC(Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine
SMILESCC/C(N)=C/N(N)CCN1CCCCC1
InChIInChI=1S/C11H24N4/c1-2-11(12)10-15(13)9-8-14-6-4-3-5-7-14/h10H,2-9,12-13H2,1H3/b11-10-
InChIKeyGBTRCQRIQUNZGB-KHPPLWFESA-N
MW212.34 g/mol
LogP0.86
Rot. Bonds5

About (Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine

(Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine (PubChem CID 118569104) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is (Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine
PubChem CID118569104
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name(Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine
SMILESCC/C(N)=C/N(N)CCN1CCCCC1
InChIInChI=1S/C11H24N4/c1-2-11(12)10-15(13)9-8-14-6-4-3-5-7-14/h10H,2-9,12-13H2,1H3/b11-10-
InChIKeyGBTRCQRIQUNZGB-KHPPLWFESA-N
XLogP0.86
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[amino(propyl)amino]-4-piperidin-1-ylbut-1-en-2-amine
CID 178050447
N-amino-N-(2-pyrrolidin-1-ylethyl)formamide
CID 54082532
(Z)-1-[amino(2-piperazin-1-ylethyl)amino]-4-methylpent-1-en-2-amine;ethane
CID 177010878
(Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine
CID 145111356
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
methanol;1-propylpiperidine
CID 171515121
N,N-bis(diethylphosphanyl)-2-piperidin-1-ylethanamine
CID 101431965
3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 114015122
N'-(2-aminoethyl)-N'-(2-piperidin-1-ylethyl)ethane-1,2-diamine
CID 67575896
methane;2-piperidin-1-ylethanamine
CID 158303452
2-methyl-4-piperidin-1-ylbutanamide
CID 23061678

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine (CID 118569104) is (Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine is CC/C(N)=C/N(N)CCN1CCCCC1.
What is the InChIKey of (Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine?
The InChIKey is GBTRCQRIQUNZGB-KHPPLWFESA-N. The full InChI is InChI=1S/C11H24N4/c1-2-11(12)10-15(13)9-8-14-6-4-3-5-7-14/h10H,2-9,12-13H2,1H3/b11-10-.
What are the key properties of (Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine?
(Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine has a molecular weight of 212.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine is sourced from PubChem (CID 118569104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).