N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine

C10H20N2 — CID 62141626

IUPACN-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCC1CCCN(C)C1
InChIInChI=1S/C10H20N2/c1-3-6-11-8-10-5-4-7-12(2)9-10/h3,10-11H,1,4-9H2,2H3
InChIKeyJQXKCSIGDNSAQJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.10
Rot. Bonds4

About N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine

N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine (PubChem CID 62141626) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine
PubChem CID62141626
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCC1CCCN(C)C1
InChIInChI=1S/C10H20N2/c1-3-6-11-8-10-5-4-7-12(2)9-10/h3,10-11H,1,4-9H2,2H3
InChIKeyJQXKCSIGDNSAQJ-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.10
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine (CID 62141626) is N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine is C=CCNCC1CCCN(C)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is JQXKCSIGDNSAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-6-11-8-10-5-4-7-12(2)9-10/h3,10-11H,1,4-9H2,2H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine?
N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 62141626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).