(1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine

C10H17NO — CID 124653595

IUPAC(1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine
SMILESCC[C@H](N)c1cc(C(C)C)co1
InChIInChI=1S/C10H17NO/c1-4-9(11)10-5-8(6-12-10)7(2)3/h5-7,9H,4,11H2,1-3H3/t9-/m0/s1
InChIKeyCAGPLKLKQLSVKI-VIFPVBQESA-N
MW167.25 g/mol
LogP2.81
Rot. Bonds3

About (1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine

(1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine (PubChem CID 124653595) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine
PubChem CID124653595
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine
SMILESCC[C@H](N)c1cc(C(C)C)co1
InChIInChI=1S/C10H17NO/c1-4-9(11)10-5-8(6-12-10)7(2)3/h5-7,9H,4,11H2,1-3H3/t9-/m0/s1
InChIKeyCAGPLKLKQLSVKI-VIFPVBQESA-N
XLogP2.81
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1R)-1-aminopropyl]furan-3-carboxylic acid
CID 123757015
1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine
CID 59664767
4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan
CID 20795799
ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine
CID 142883519
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
2-(iodomethyl)-4-propan-2-ylfuran
CID 143077100
5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran
CID 159467229
1-(5-methylfuran-3-yl)butan-1-amine
CID 82416831
4-(1-aminoethyl)furan-2-ol
CID 130000619
(5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 114820136
[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine
CID 114819810
(1R)-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 55275935

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine (CID 124653595) is (1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine is CC[C@H](N)c1cc(C(C)C)co1.
What is the InChIKey of (1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine?
The InChIKey is CAGPLKLKQLSVKI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO/c1-4-9(11)10-5-8(6-12-10)7(2)3/h5-7,9H,4,11H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine?
(1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-propan-2-ylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 124653595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).