but-3-en-2-imine;ethane;N-methylpiperidin-4-amine

C12H27N3 — CID 145006356

IUPACbut-3-en-2-imine;ethane;N-methylpiperidin-4-amine
SMILESCC.CNC1CCNCC1.[H]/N=C(\C)C=C
InChIInChI=1S/C6H14N2.C4H7N.C2H6/c1-7-6-2-4-8-5-3-6;1-3-4(2)5;1-2/h6-8H,2-5H2,1H3;3,5H,1H2,2H3;1-2H3/b;5-4+;
InChIKeyBULMGYXSSWSIEL-YHVJRZKVSA-N
MW213.37 g/mol
LogP2.20
Rot. Bonds2

About but-3-en-2-imine;ethane;N-methylpiperidin-4-amine

but-3-en-2-imine;ethane;N-methylpiperidin-4-amine (PubChem CID 145006356) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is but-3-en-2-imine;ethane;N-methylpiperidin-4-amine.

Molecular Properties

Compound Namebut-3-en-2-imine;ethane;N-methylpiperidin-4-amine
PubChem CID145006356
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Namebut-3-en-2-imine;ethane;N-methylpiperidin-4-amine
SMILESCC.CNC1CCNCC1.[H]/N=C(\C)C=C
InChIInChI=1S/C6H14N2.C4H7N.C2H6/c1-7-6-2-4-8-5-3-6;1-3-4(2)5;1-2/h6-8H,2-5H2,1H3;3,5H,1H2,2H3;1-2H3/b;5-4+;
InChIKeyBULMGYXSSWSIEL-YHVJRZKVSA-N
XLogP2.20
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enyl-N-propylpiperidin-4-amine
CID 64313161
N-but-3-enyl-1-methylpiperidin-4-amine
CID 64313269
N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine
CID 91180569
N-methyl-1-piperidin-2-ylprop-2-en-1-imine
CID 123359089
N-(piperidin-4-ylmethyl)but-3-en-2-imine
CID 123852038
1-Piperidin-2-ylprop-2-en-1-imine
CID 124036181
N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine
CID 143586132
N-[(E)-but-3-en-2-ylideneamino]piperidin-4-amine
CID 167250824
N-but-3-enyl-1-methylpiperidin-4-amine;ethane
CID 172302911
N-but-3-enyl-1-propylpiperidin-4-amine
CID 64315826
N-but-3-enyl-N-methylpiperidin-4-amine
CID 64315882
N-but-3-enyl-N-ethylpiperidin-4-amine
CID 64315884

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-imine;ethane;N-methylpiperidin-4-amine?
The IUPAC name of but-3-en-2-imine;ethane;N-methylpiperidin-4-amine (CID 145006356) is but-3-en-2-imine;ethane;N-methylpiperidin-4-amine.
What is the SMILES notation for but-3-en-2-imine;ethane;N-methylpiperidin-4-amine?
The canonical SMILES for but-3-en-2-imine;ethane;N-methylpiperidin-4-amine is CC.CNC1CCNCC1.[H]/N=C(\C)C=C.
What is the InChIKey of but-3-en-2-imine;ethane;N-methylpiperidin-4-amine?
The InChIKey is BULMGYXSSWSIEL-YHVJRZKVSA-N. The full InChI is InChI=1S/C6H14N2.C4H7N.C2H6/c1-7-6-2-4-8-5-3-6;1-3-4(2)5;1-2/h6-8H,2-5H2,1H3;3,5H,1H2,2H3;1-2H3/b;5-4+;.
What are the key properties of but-3-en-2-imine;ethane;N-methylpiperidin-4-amine?
but-3-en-2-imine;ethane;N-methylpiperidin-4-amine has a molecular weight of 213.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-imine;ethane;N-methylpiperidin-4-amine is sourced from PubChem (CID 145006356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).