N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine

C18H24N2O — CID 79328941

IUPACN-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(-c2cccnc2)o1)CNCC(C)C
InChIInChI=1S/C18H24N2O/c1-4-15(12-20-11-14(2)3)10-17-7-8-18(21-17)16-6-5-9-19-13-16/h5-10,13-14,20H,4,11-12H2,1-3H3
InChIKeyRBHGWRLABVQILZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.38
Rot. Bonds7

About N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine

N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine (PubChem CID 79328941) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
PubChem CID79328941
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(-c2cccnc2)o1)CNCC(C)C
InChIInChI=1S/C18H24N2O/c1-4-15(12-20-11-14(2)3)10-17-7-8-18(21-17)16-6-5-9-19-13-16/h5-10,13-14,20H,4,11-12H2,1-3H3
InChIKeyRBHGWRLABVQILZ-UHFFFAOYSA-N
XLogP4.38
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
CID 79322193
N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine
CID 79340012
3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine
CID 55016356
3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344064
(NZ)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine
CID 11355925
N-[(5-pyridin-3-ylfuran-2-yl)methyl]propan-2-amine
CID 103625236
N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine
CID 79330140
N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine
CID 79330038
N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine
CID 79330139
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
CID 67108655
2-methyl-N-[(2-methyl-2-pyridin-3-ylcyclopropyl)methyl]propan-1-amine
CID 62714424

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine (CID 79328941) is N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine is CCC(=Cc1ccc(-c2cccnc2)o1)CNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine?
The InChIKey is RBHGWRLABVQILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-15(12-20-11-14(2)3)10-17-7-8-18(21-17)16-6-5-9-19-13-16/h5-10,13-14,20H,4,11-12H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine?
N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79328941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).