1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

C19H29NO — CID 79999938

IUPAC1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(C)o1)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H29NO/c1-13-5-6-15(21-13)16(20-4)19-9-14-7-17(2,11-19)10-18(3,8-14)12-19/h5-6,14,16,20H,7-12H2,1-4H3
InChIKeyBEZYGZXGAMQKJY-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.85
Rot. Bonds3

About 1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (PubChem CID 79999938) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
PubChem CID79999938
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(C)o1)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H29NO/c1-13-5-6-15(21-13)16(20-4)19-9-14-7-17(2,11-19)10-18(3,8-14)12-19/h5-6,14,16,20H,7-12H2,1-4H3
InChIKeyBEZYGZXGAMQKJY-UHFFFAOYSA-N
XLogP4.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (CID 79999938) is 1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is CNC(c1ccc(C)o1)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is BEZYGZXGAMQKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13-5-6-15(21-13)16(20-4)19-9-14-7-17(2,11-19)10-18(3,8-14)12-19/h5-6,14,16,20H,7-12H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 79999938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).