(Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine

C13H24N2 — CID 169103840

IUPAC(Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine
SMILESCC(C)/C=C\C=N/C(C)N1CCCCC1
InChIInChI=1S/C13H24N2/c1-12(2)8-7-9-14-13(3)15-10-5-4-6-11-15/h7-9,12-13H,4-6,10-11H2,1-3H3/b8-7-,14-9-
InChIKeyKIWDAIMSIBSSGP-SIBSCAOJSA-N
MW208.35 g/mol
LogP3.10
Rot. Bonds4

About (Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine

(Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine (PubChem CID 169103840) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine
PubChem CID169103840
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine
SMILESCC(C)/C=C\C=N/C(C)N1CCCCC1
InChIInChI=1S/C13H24N2/c1-12(2)8-7-9-14-13(3)15-10-5-4-6-11-15/h7-9,12-13H,4-6,10-11H2,1-3H3/b8-7-,14-9-
InChIKeyKIWDAIMSIBSSGP-SIBSCAOJSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 56980713
N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
CID 56997952
N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57029224
N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57044203
2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylethanamine
CID 57046378
N,N-dimethyl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57065637
N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57070888
3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
CID 57098070
N,N-diethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57108719
N-[2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
CID 57173343
2-[1-(2-Methylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57173856
N,N-diethyl-2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57210365

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine?
The IUPAC name of (Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine (CID 169103840) is (Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine.
What is the SMILES notation for (Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine?
The canonical SMILES for (Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine is CC(C)/C=C\C=N/C(C)N1CCCCC1.
What is the InChIKey of (Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine?
The InChIKey is KIWDAIMSIBSSGP-SIBSCAOJSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2)8-7-9-14-13(3)15-10-5-4-6-11-15/h7-9,12-13H,4-6,10-11H2,1-3H3/b8-7-,14-9-.
What are the key properties of (Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine?
(Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine has a molecular weight of 208.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine is sourced from PubChem (CID 169103840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).