1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine

C18H33N — CID 79986867

IUPAC1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H33N/c1-13(2)5-6-15(19)18-9-14-7-16(3,11-18)10-17(4,8-14)12-18/h13-15H,5-12,19H2,1-4H3
InChIKeyPPWALRHLOBDJFN-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.75
Rot. Bonds4

About 1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine

1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine (PubChem CID 79986867) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine
PubChem CID79986867
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H33N/c1-13(2)5-6-15(19)18-9-14-7-16(3,11-18)10-17(4,8-14)12-18/h13-15H,5-12,19H2,1-4H3
InChIKeyPPWALRHLOBDJFN-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine (CID 79986867) is 1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine is CC(C)CCC(N)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine?
The InChIKey is PPWALRHLOBDJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-13(2)5-6-15(19)18-9-14-7-16(3,11-18)10-17(4,8-14)12-18/h13-15H,5-12,19H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine?
1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine has a molecular weight of 263.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine is sourced from PubChem (CID 79986867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).