N-(piperidin-1-ylmethyl)prop-1-en-1-amine

C9H18N2 — CID 59040095

IUPACN-(piperidin-1-ylmethyl)prop-1-en-1-amine
SMILESCC=CNCN1CCCCC1
InChIInChI=1S/C9H18N2/c1-2-6-10-9-11-7-4-3-5-8-11/h2,6,10H,3-5,7-9H2,1H3
InChIKeyZVVWFEJRHIHSHC-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.55
Rot. Bonds3

About N-(piperidin-1-ylmethyl)prop-1-en-1-amine

N-(piperidin-1-ylmethyl)prop-1-en-1-amine (PubChem CID 59040095) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-(piperidin-1-ylmethyl)prop-1-en-1-amine.

Molecular Properties

Compound NameN-(piperidin-1-ylmethyl)prop-1-en-1-amine
PubChem CID59040095
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-(piperidin-1-ylmethyl)prop-1-en-1-amine
SMILESCC=CNCN1CCCCC1
InChIInChI=1S/C9H18N2/c1-2-6-10-9-11-7-4-3-5-8-11/h2,6,10H,3-5,7-9H2,1H3
InChIKeyZVVWFEJRHIHSHC-UHFFFAOYSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-1-ylmethyl)prop-1-en-1-amine?
The IUPAC name of N-(piperidin-1-ylmethyl)prop-1-en-1-amine (CID 59040095) is N-(piperidin-1-ylmethyl)prop-1-en-1-amine.
What is the SMILES notation for N-(piperidin-1-ylmethyl)prop-1-en-1-amine?
The canonical SMILES for N-(piperidin-1-ylmethyl)prop-1-en-1-amine is CC=CNCN1CCCCC1.
What is the InChIKey of N-(piperidin-1-ylmethyl)prop-1-en-1-amine?
The InChIKey is ZVVWFEJRHIHSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-6-10-9-11-7-4-3-5-8-11/h2,6,10H,3-5,7-9H2,1H3.
What are the key properties of N-(piperidin-1-ylmethyl)prop-1-en-1-amine?
N-(piperidin-1-ylmethyl)prop-1-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-1-ylmethyl)prop-1-en-1-amine is sourced from PubChem (CID 59040095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).