(1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine

C12H22N2O — CID 89355235

IUPAC(1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine
SMILESCC(/C=C\N)=C/COCC1CCCN1C
InChIInChI=1S/C12H22N2O/c1-11(5-7-13)6-9-15-10-12-4-3-8-14(12)2/h5-7,12H,3-4,8-10,13H2,1-2H3/b7-5-,11-6-
InChIKeyVBDRSXLGEIPMGY-JMPJYAQRSA-N
MW210.32 g/mol
LogP1.52
Rot. Bonds5

About (1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine

(1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine (PubChem CID 89355235) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine
PubChem CID89355235
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine
SMILESCC(/C=C\N)=C/COCC1CCCN1C
InChIInChI=1S/C12H22N2O/c1-11(5-7-13)6-9-15-10-12-4-3-8-14(12)2/h5-7,12H,3-4,8-10,13H2,1-2H3/b7-5-,11-6-
InChIKeyVBDRSXLGEIPMGY-JMPJYAQRSA-N
XLogP1.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
3-[(1-methylpyrrolidin-2-yl)methoxy]propanoic acid
CID 83817688
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188
difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine
CID 168880743
4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine
CID 65469045
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid
CID 174164491
N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 121001602

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine (CID 89355235) is (1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine is CC(/C=C\N)=C/COCC1CCCN1C.
What is the InChIKey of (1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine?
The InChIKey is VBDRSXLGEIPMGY-JMPJYAQRSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(5-7-13)6-9-15-10-12-4-3-8-14(12)2/h5-7,12H,3-4,8-10,13H2,1-2H3/b7-5-,11-6-.
What are the key properties of (1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine?
(1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dien-1-amine is sourced from PubChem (CID 89355235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).