4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine

C14H29N3 — CID 143739638

IUPAC4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine
SMILESC=CN1CCC(C(C)(C)C)CC1.N/C=C\CN
InChIInChI=1S/C11H21N.C3H8N2/c1-5-12-8-6-10(7-9-12)11(2,3)4;4-2-1-3-5/h5,10H,1,6-9H2,2-4H3;1-2H,3-5H2/b;2-1-
InChIKeyQZZCHMCNMHZKMM-BTJKTKAUSA-N
MW239.41 g/mol
LogP2.31
Rot. Bonds2

About 4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine

4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine (PubChem CID 143739638) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine
PubChem CID143739638
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine
SMILESC=CN1CCC(C(C)(C)C)CC1.N/C=C\CN
InChIInChI=1S/C11H21N.C3H8N2/c1-5-12-8-6-10(7-9-12)11(2,3)4;4-2-1-3-5/h5,10H,1,6-9H2,2-4H3;1-2H,3-5H2/b;2-1-
InChIKeyQZZCHMCNMHZKMM-BTJKTKAUSA-N
XLogP2.31
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine?
The IUPAC name of 4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine (CID 143739638) is 4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine.
What is the SMILES notation for 4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine?
The canonical SMILES for 4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine is C=CN1CCC(C(C)(C)C)CC1.N/C=C\CN.
What is the InChIKey of 4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine?
The InChIKey is QZZCHMCNMHZKMM-BTJKTKAUSA-N. The full InChI is InChI=1S/C11H21N.C3H8N2/c1-5-12-8-6-10(7-9-12)11(2,3)4;4-2-1-3-5/h5,10H,1,6-9H2,2-4H3;1-2H,3-5H2/b;2-1-.
What are the key properties of 4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine?
4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine has a molecular weight of 239.41 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethenylpiperidine;(Z)-prop-1-ene-1,3-diamine is sourced from PubChem (CID 143739638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).