(1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine

C11H22N2 — CID 103442149

IUPAC(1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine
SMILESC=CC(C)N1CCC(C)CC1CN
InChIInChI=1S/C11H22N2/c1-4-10(3)13-6-5-9(2)7-11(13)8-12/h4,9-11H,1,5-8,12H2,2-3H3
InChIKeyAPSXTVRQXYJWDH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.62
Rot. Bonds3

About (1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine

(1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine (PubChem CID 103442149) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine
PubChem CID103442149
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine
SMILESC=CC(C)N1CCC(C)CC1CN
InChIInChI=1S/C11H22N2/c1-4-10(3)13-6-5-9(2)7-11(13)8-12/h4,9-11H,1,5-8,12H2,2-3H3
InChIKeyAPSXTVRQXYJWDH-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
[4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine
CID 103440507
(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
CID 80505747
1-but-3-en-2-yl-2,3-dimethylpyrrolidine
CID 130639146
[4-methyl-1-(1-pyridin-4-ylethyl)piperidin-2-yl]methanamine
CID 103440649
methyl 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]butanoate
CID 103441682
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 103441911
2-ethyl-4-methyl-1-propan-2-ylpiperidine
CID 171506462
[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine
CID 103440773
[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103440626
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 103441880
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214

Frequently Asked Questions

What is the IUPAC name of (1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine?
The IUPAC name of (1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine (CID 103442149) is (1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for (1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine?
The canonical SMILES for (1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine is C=CC(C)N1CCC(C)CC1CN.
What is the InChIKey of (1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine?
The InChIKey is APSXTVRQXYJWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-10(3)13-6-5-9(2)7-11(13)8-12/h4,9-11H,1,5-8,12H2,2-3H3.
What are the key properties of (1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine?
(1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine has a molecular weight of 182.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 103442149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).