(Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine

C11H22N2 — CID 117267511

IUPAC(Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine
SMILESCNCC/C=C\C1CCCN(C)C1
InChIInChI=1S/C11H22N2/c1-12-8-4-3-6-11-7-5-9-13(2)10-11/h3,6,11-12H,4-5,7-10H2,1-2H3/b6-3-
InChIKeyYVNXHRPKEMAQHG-UTCJRWHESA-N
MW182.31 g/mol
LogP1.49
Rot. Bonds4

About (Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine

(Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine (PubChem CID 117267511) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine
PubChem CID117267511
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine
SMILESCNCC/C=C\C1CCCN(C)C1
InChIInChI=1S/C11H22N2/c1-12-8-4-3-6-11-7-5-9-13(2)10-11/h3,6,11-12H,4-5,7-10H2,1-2H3/b6-3-
InChIKeyYVNXHRPKEMAQHG-UTCJRWHESA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-3-(1-methylpiperidin-3-yl)prop-2-enyl]piperazine
CID 117269290
(Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid
CID 117267539
(Z)-N-methyl-4-(thian-3-yl)but-3-en-1-amine
CID 117267507
(Z)-4-(1,1-dioxothiolan-3-yl)-N-methylbut-3-en-1-amine
CID 117267300
methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate
CID 117266160
N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115197757
N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
CID 115196067
N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine
CID 170022411
(2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid
CID 115020259
N-methyl-2-(1-methylpiperidin-3-yl)prop-2-en-1-amine
CID 117266322
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
butane;N,1-dimethylpiperidin-3-amine
CID 91437867

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine?
The IUPAC name of (Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine (CID 117267511) is (Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine?
The canonical SMILES for (Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine is CNCC/C=C\C1CCCN(C)C1.
What is the InChIKey of (Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine?
The InChIKey is YVNXHRPKEMAQHG-UTCJRWHESA-N. The full InChI is InChI=1S/C11H22N2/c1-12-8-4-3-6-11-7-5-9-13(2)10-11/h3,6,11-12H,4-5,7-10H2,1-2H3/b6-3-.
What are the key properties of (Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine?
(Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine is sourced from PubChem (CID 117267511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).