1-(furan-3-yl)-3-methylhexan-2-amine

C11H19NO — CID 105029905

IUPAC1-(furan-3-yl)-3-methylhexan-2-amine
SMILESCCCC(C)C(N)Cc1ccoc1
InChIInChI=1S/C11H19NO/c1-3-4-9(2)11(12)7-10-5-6-13-8-10/h5-6,8-9,11H,3-4,7,12H2,1-2H3
InChIKeyCJVLUEWMFCRNOG-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.59
Rot. Bonds5

About 1-(furan-3-yl)-3-methylhexan-2-amine

1-(furan-3-yl)-3-methylhexan-2-amine (PubChem CID 105029905) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-methylhexan-2-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-3-methylhexan-2-amine
PubChem CID105029905
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(furan-3-yl)-3-methylhexan-2-amine
SMILESCCCC(C)C(N)Cc1ccoc1
InChIInChI=1S/C11H19NO/c1-3-4-9(2)11(12)7-10-5-6-13-8-10/h5-6,8-9,11H,3-4,7,12H2,1-2H3
InChIKeyCJVLUEWMFCRNOG-UHFFFAOYSA-N
XLogP2.59
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-yl)-3-methoxyhexan-2-amine
CID 116718509
1-(furan-3-yl)octan-2-amine
CID 105029979
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
3-(furan-3-yl)-2-methylpropan-1-amine
CID 64666648
1-(furan-3-yl)propane-2-sulfonamide
CID 150211021
2-(furan-3-ylmethyl)pentanoic acid
CID 12573303
1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
CID 63528315
4-ethoxy-1-(furan-3-yl)butan-2-amine
CID 105177800
3-methyl-1-naphthalen-2-ylhexan-2-amine
CID 61080295
3-(furan-3-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845575
[3-ethoxy-1-(furan-3-yl)butan-2-yl]hydrazine
CID 105222814
(1S)-1-(furan-3-yl)butan-1-amine
CID 78960978

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-methylhexan-2-amine?
The IUPAC name of 1-(furan-3-yl)-3-methylhexan-2-amine (CID 105029905) is 1-(furan-3-yl)-3-methylhexan-2-amine.
What is the SMILES notation for 1-(furan-3-yl)-3-methylhexan-2-amine?
The canonical SMILES for 1-(furan-3-yl)-3-methylhexan-2-amine is CCCC(C)C(N)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-methylhexan-2-amine?
The InChIKey is CJVLUEWMFCRNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-9(2)11(12)7-10-5-6-13-8-10/h5-6,8-9,11H,3-4,7,12H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-3-methylhexan-2-amine?
1-(furan-3-yl)-3-methylhexan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-methylhexan-2-amine is sourced from PubChem (CID 105029905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).