3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine

C12H24N2 — CID 114472178

IUPAC3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine
SMILESC=C(C)CCNCCN1CCCCC1
InChIInChI=1S/C12H24N2/c1-12(2)6-7-13-8-11-14-9-4-3-5-10-14/h13H,1,3-11H2,2H3
InChIKeyGKLHFAOJTFJHLT-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds6

About 3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine

3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine (PubChem CID 114472178) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine
PubChem CID114472178
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine
SMILESC=C(C)CCNCCN1CCCCC1
InChIInChI=1S/C12H24N2/c1-12(2)6-7-13-8-11-14-9-4-3-5-10-14/h13H,1,3-11H2,2H3
InChIKeyGKLHFAOJTFJHLT-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
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

2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
3-(2-piperidin-1-ylethylamino)propan-1-ol
CID 53211307
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
N-(2-bromoethyl)-2-piperidin-1-ylethanamine
CID 46738415
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
N-(2-iodoethyl)-2-piperidin-1-ylethanamine
CID 122495031
2-(azepan-1-yl)-N-(2-chloroethyl)ethanamine
CID 53215657
ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 46318531
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
CID 119031355
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
1-[2-(azepan-1-yl)ethylamino]propan-2-ol
CID 104594544
5-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 62227725

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine?
The IUPAC name of 3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine (CID 114472178) is 3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine?
The canonical SMILES for 3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine is C=C(C)CCNCCN1CCCCC1.
What is the InChIKey of 3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine?
The InChIKey is GKLHFAOJTFJHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2)6-7-13-8-11-14-9-4-3-5-10-14/h13H,1,3-11H2,2H3.
What are the key properties of 3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine?
3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine is sourced from PubChem (CID 114472178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).