(5-tert-butylfuran-2-yl)-cyclopropylmethanamine

C12H19NO — CID 165354721

IUPAC(5-tert-butylfuran-2-yl)-cyclopropylmethanamine
SMILESCC(C)(C)c1ccc(C(N)C2CC2)o1
InChIInChI=1S/C12H19NO/c1-12(2,3)10-7-6-9(14-10)11(13)8-4-5-8/h6-8,11H,4-5,13H2,1-3H3
InChIKeyDFHFGHRWSHUSDQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.99
Rot. Bonds2

About (5-tert-butylfuran-2-yl)-cyclopropylmethanamine

(5-tert-butylfuran-2-yl)-cyclopropylmethanamine (PubChem CID 165354721) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (5-tert-butylfuran-2-yl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(5-tert-butylfuran-2-yl)-cyclopropylmethanamine
PubChem CID165354721
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(5-tert-butylfuran-2-yl)-cyclopropylmethanamine
SMILESCC(C)(C)c1ccc(C(N)C2CC2)o1
InChIInChI=1S/C12H19NO/c1-12(2,3)10-7-6-9(14-10)11(13)8-4-5-8/h6-8,11H,4-5,13H2,1-3H3
InChIKeyDFHFGHRWSHUSDQ-UHFFFAOYSA-N
XLogP2.99
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-bromofuran-2-yl)-cyclopropylmethanamine;hydrochloride
CID 171200042
(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine
CID 65438710
(S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine
CID 94891967
(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 63503968
[5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol
CID 131528338
(2-tert-butylphenyl)-(oxan-4-yl)methanamine
CID 115856077
(R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine
CID 131293376
(S)-cyclopropyl(furan-2-yl)methanamine
CID 58735829
cyclopropyl(furan-2-yl)methanamine
CID 5013297
(S)-cyclobutyl-(5-nitrofuran-2-yl)methanamine;hydrochloride
CID 171217872
(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 104991972
(S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine
CID 131503128

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylfuran-2-yl)-cyclopropylmethanamine?
The IUPAC name of (5-tert-butylfuran-2-yl)-cyclopropylmethanamine (CID 165354721) is (5-tert-butylfuran-2-yl)-cyclopropylmethanamine.
What is the SMILES notation for (5-tert-butylfuran-2-yl)-cyclopropylmethanamine?
The canonical SMILES for (5-tert-butylfuran-2-yl)-cyclopropylmethanamine is CC(C)(C)c1ccc(C(N)C2CC2)o1.
What is the InChIKey of (5-tert-butylfuran-2-yl)-cyclopropylmethanamine?
The InChIKey is DFHFGHRWSHUSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)10-7-6-9(14-10)11(13)8-4-5-8/h6-8,11H,4-5,13H2,1-3H3.
What are the key properties of (5-tert-butylfuran-2-yl)-cyclopropylmethanamine?
(5-tert-butylfuran-2-yl)-cyclopropylmethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylfuran-2-yl)-cyclopropylmethanamine is sourced from PubChem (CID 165354721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).