1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine

C11H20N2 — CID 61204024

IUPAC1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine
SMILESC#CCCN1CCCC(CNC)C1
InChIInChI=1S/C11H20N2/c1-3-4-7-13-8-5-6-11(10-13)9-12-2/h1,11-12H,4-10H2,2H3
InChIKeyTVTVXYJRFQVEJY-UHFFFAOYSA-N
MW180.30 g/mol
LogP0.94
Rot. Bonds4

About 1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine

1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine (PubChem CID 61204024) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine
PubChem CID61204024
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine
SMILESC#CCCN1CCCC(CNC)C1
InChIInChI=1S/C11H20N2/c1-3-4-7-13-8-5-6-11(10-13)9-12-2/h1,11-12H,4-10H2,2H3
InChIKeyTVTVXYJRFQVEJY-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(methylaminomethyl)piperidin-1-yl]propanal
CID 63041305
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
2-[3-(methylaminomethyl)piperidin-1-yl]acetonitrile
CID 61206091
N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914636
2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde
CID 62031139
1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61206248
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61203648
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
(1-but-3-ynylpyrrolidin-3-yl)methanol
CID 62372268
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832

Frequently Asked Questions

What is the IUPAC name of 1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine (CID 61204024) is 1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine is C#CCCN1CCCC(CNC)C1.
What is the InChIKey of 1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine?
The InChIKey is TVTVXYJRFQVEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-4-7-13-8-5-6-11(10-13)9-12-2/h1,11-12H,4-10H2,2H3.
What are the key properties of 1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine?
1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine has a molecular weight of 180.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 61204024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).