N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine

C10H20N2 — CID 117266391

IUPACN-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CC1CCCNC1
InChIInChI=1S/C10H20N2/c1-9(7-11-2)6-10-4-3-5-12-8-10/h10-12H,1,3-8H2,2H3
InChIKeyXCKJZNBSJPJMPP-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.15
Rot. Bonds4

About N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine

N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine (PubChem CID 117266391) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine
PubChem CID117266391
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CC1CCCNC1
InChIInChI=1S/C10H20N2/c1-9(7-11-2)6-10-4-3-5-12-8-10/h10-12H,1,3-8H2,2H3
InChIKeyXCKJZNBSJPJMPP-UHFFFAOYSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
2-(piperidin-3-ylmethyl)prop-2-enoic acid
CID 117266961
2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine
CID 117266395
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
piperidin-3-ylmethanol
CID 161361606
3-methyl-1-piperidin-3-ylpentan-2-one
CID 116564111
S-methyl 2-piperidin-3-ylethanethioate
CID 117125822
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
N-(2-methoxyethoxy)-2-piperidin-3-ylacetamide
CID 82722940
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700
2-fluoro-N,2-dimethyl-3-piperidin-3-ylpropan-1-amine
CID 105443321

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine (CID 117266391) is N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine is C=C(CNC)CC1CCCNC1.
What is the InChIKey of N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is XCKJZNBSJPJMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(7-11-2)6-10-4-3-5-12-8-10/h10-12H,1,3-8H2,2H3.
What are the key properties of N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine?
N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 117266391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).