(3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine

C19H29NO — CID 79999939

IUPAC(3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)C23CC4CC(C)(CC(C)(C4)C2)C3)c(C)o1
InChIInChI=1S/C19H29NO/c1-12-5-15(13(2)21-12)16(20)19-8-14-6-17(3,10-19)9-18(4,7-14)11-19/h5,14,16H,6-11,20H2,1-4H3
InChIKeyPHLJIVQPFXTUSQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.89
Rot. Bonds2

About (3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine

(3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 79999939) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID79999939
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)C23CC4CC(C)(CC(C)(C4)C2)C3)c(C)o1
InChIInChI=1S/C19H29NO/c1-12-5-15(13(2)21-12)16(20)19-8-14-6-17(3,10-19)9-18(4,7-14)11-19/h5,14,16H,6-11,20H2,1-4H3
InChIKeyPHLJIVQPFXTUSQ-UHFFFAOYSA-N
XLogP4.89
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine (CID 79999939) is (3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)C23CC4CC(C)(CC(C)(C4)C2)C3)c(C)o1.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is PHLJIVQPFXTUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-12-5-15(13(2)21-12)16(20)19-8-14-6-17(3,10-19)9-18(4,7-14)11-19/h5,14,16H,6-11,20H2,1-4H3.
What are the key properties of (3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine?
(3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 79999939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).