2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine

C13H21NO — CID 79329717

IUPAC2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(=Cc1ccco1)CNCC(C)C
InChIInChI=1S/C13H21NO/c1-4-12(10-14-9-11(2)3)8-13-6-5-7-15-13/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyZWXKAPFBLOQYDH-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.32
Rot. Bonds6

About 2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine

2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine (PubChem CID 79329717) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
PubChem CID79329717
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(=Cc1ccco1)CNCC(C)C
InChIInChI=1S/C13H21NO/c1-4-12(10-14-9-11(2)3)8-13-6-5-7-15-13/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyZWXKAPFBLOQYDH-UHFFFAOYSA-N
XLogP3.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
CID 79328941
N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine
CID 79330038
(2E)-2-(furan-2-ylmethylidene)butanal
CID 6435826
N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine
CID 79330139
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329371
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79341702
(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal
CID 82111259
2-[(4-bromo-5-chlorothiophen-2-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 102845586
2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 113394137
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
2-[(4-bromo-3-nitrophenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79330384
(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal
CID 102492012

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine (CID 79329717) is 2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine is CCC(=Cc1ccco1)CNCC(C)C.
What is the InChIKey of 2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is ZWXKAPFBLOQYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12(10-14-9-11(2)3)8-13-6-5-7-15-13/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of 2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine?
2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79329717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).