(S)-cyclopropyl-(3-methylfuran-2-yl)methanamine

C9H13NO — CID 130706800

IUPAC(S)-cyclopropyl-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1[C@@H](N)C1CC1
InChIInChI=1S/C9H13NO/c1-6-4-5-11-9(6)8(10)7-2-3-7/h4-5,7-8H,2-3,10H2,1H3/t8-/m0/s1
InChIKeyXXGBIYPPNRATNT-QMMMGPOBSA-N
MW151.21 g/mol
LogP2.00
Rot. Bonds2

About (S)-cyclopropyl-(3-methylfuran-2-yl)methanamine

(S)-cyclopropyl-(3-methylfuran-2-yl)methanamine (PubChem CID 130706800) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (S)-cyclopropyl-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(S)-cyclopropyl-(3-methylfuran-2-yl)methanamine
PubChem CID130706800
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(S)-cyclopropyl-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1[C@@H](N)C1CC1
InChIInChI=1S/C9H13NO/c1-6-4-5-11-9(6)8(10)7-2-3-7/h4-5,7-8H,2-3,10H2,1H3/t8-/m0/s1
InChIKeyXXGBIYPPNRATNT-QMMMGPOBSA-N
XLogP2.00
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine
CID 104804511
(S)-cyclopropyl-(3-fluorofuran-2-yl)methanamine
CID 130674040
(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine
CID 63942648
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 104804592
1-cyclopropyl-N-[1-(3-methylfuran-2-yl)ethyl]ethanamine
CID 115888793
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623491
(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 65402562
(S)-cyclopropyl(furan-2-yl)methanamine
CID 58735829
cyclopropyl(furan-2-yl)methanamine
CID 5013297
N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine
CID 104805664
(2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine
CID 106692204
furan-3-yl-(3-methylfuran-2-yl)methanamine
CID 104804500

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(3-methylfuran-2-yl)methanamine?
The IUPAC name of (S)-cyclopropyl-(3-methylfuran-2-yl)methanamine (CID 130706800) is (S)-cyclopropyl-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for (S)-cyclopropyl-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for (S)-cyclopropyl-(3-methylfuran-2-yl)methanamine is Cc1ccoc1[C@@H](N)C1CC1.
What is the InChIKey of (S)-cyclopropyl-(3-methylfuran-2-yl)methanamine?
The InChIKey is XXGBIYPPNRATNT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-4-5-11-9(6)8(10)7-2-3-7/h4-5,7-8H,2-3,10H2,1H3/t8-/m0/s1.
What are the key properties of (S)-cyclopropyl-(3-methylfuran-2-yl)methanamine?
(S)-cyclopropyl-(3-methylfuran-2-yl)methanamine has a molecular weight of 151.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 130706800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).