ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine

C15H33N3 — CID 145198301

IUPACethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine
SMILESC=C1CN(CCN)CC/C1=N\CCC.CC.CC
InChIInChI=1S/C11H21N3.2C2H6/c1-3-6-13-11-4-7-14(8-5-12)9-10(11)2;2*1-2/h2-9,12H2,1H3;2*1-2H3/b13-11+;;
InChIKeyXUMJKWZYGZHREN-UAIOKUCGSA-N
MW255.45 g/mol
LogP3.11
Rot. Bonds4

About ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine

ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine (PubChem CID 145198301) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine.

Molecular Properties

Compound Nameethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine
PubChem CID145198301
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Nameethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine
SMILESC=C1CN(CCN)CC/C1=N\CCC.CC.CC
InChIInChI=1S/C11H21N3.2C2H6/c1-3-6-13-11-4-7-14(8-5-12)9-10(11)2;2*1-2/h2-9,12H2,1H3;2*1-2H3/b13-11+;;
InChIKeyXUMJKWZYGZHREN-UAIOKUCGSA-N
XLogP3.11
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162029
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162053
ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine
CID 142367512
ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
CID 142382887
(4-Tert-butylimino-1-methylpiperidin-3-ylidene)methanamine
CID 144213705
[(Z)-(4-azaniumylidene-1-methylpiperidin-3-ylidene)methyl]-methylazanium
CID 144213729
N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane
CID 145198185
(1-Methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 154007283
(Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 168977628
(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine
CID 170079294
N,2-dimethyl-3-methylidenepiperidin-4-imine
CID 176925363
ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen
CID 177062489

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine?
The IUPAC name of ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine (CID 145198301) is ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine.
What is the SMILES notation for ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine?
The canonical SMILES for ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine is C=C1CN(CCN)CC/C1=N\CCC.CC.CC.
What is the InChIKey of ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine?
The InChIKey is XUMJKWZYGZHREN-UAIOKUCGSA-N. The full InChI is InChI=1S/C11H21N3.2C2H6/c1-3-6-13-11-4-7-14(8-5-12)9-10(11)2;2*1-2/h2-9,12H2,1H3;2*1-2H3/b13-11+;;.
What are the key properties of ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine?
ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine has a molecular weight of 255.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine is sourced from PubChem (CID 145198301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).