N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine

C14H26N2 — CID 143745535

IUPACN-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCC(CC(=C)C)CC1
InChIInChI=1S/C14H26N2/c1-4-7-15-8-11-16-9-5-14(6-10-16)12-13(2)3/h4,14-15H,1-2,5-12H2,3H3
InChIKeyXGHPNJSVGNSFAL-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.44
Rot. Bonds7

About N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine

N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine (PubChem CID 143745535) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine
PubChem CID143745535
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCC(CC(=C)C)CC1
InChIInChI=1S/C14H26N2/c1-4-7-15-8-11-16-9-5-14(6-10-16)12-13(2)3/h4,14-15H,1-2,5-12H2,3H3
InChIKeyXGHPNJSVGNSFAL-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.44
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-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine (CID 143745535) is N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine is C=CCNCCN1CCC(CC(=C)C)CC1.
What is the InChIKey of N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine?
The InChIKey is XGHPNJSVGNSFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-7-15-8-11-16-9-5-14(6-10-16)12-13(2)3/h4,14-15H,1-2,5-12H2,3H3.
What are the key properties of N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine?
N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylprop-2-enyl)piperidin-1-yl]ethyl]prop-2-en-1-amine is sourced from PubChem (CID 143745535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).