N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine

C19H33NO — CID 104993529

IUPACN-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-18-9-14-8-15(10-18)12-19(11-14,13-18)17(20-2)6-5-16-4-3-7-21-16/h14-17,20H,3-13H2,1-2H3
InChIKeyPJZKNDDAXLFTKM-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.14
Rot. Bonds5

About N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine

N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104993529) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID104993529
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-18-9-14-8-15(10-18)12-19(11-14,13-18)17(20-2)6-5-16-4-3-7-21-16/h14-17,20H,3-13H2,1-2H3
InChIKeyPJZKNDDAXLFTKM-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 171735467
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CID 43105658
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CID 43179205
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CID 43191196
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CID 54943525
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CID 55041113
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CID 55120496
CID 55120496

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine (CID 104993529) is N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is PJZKNDDAXLFTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-18-9-14-8-15(10-18)12-19(11-14,13-18)17(20-2)6-5-16-4-3-7-21-16/h14-17,20H,3-13H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine?
N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104993529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).