1-(3-methyl-1-adamantyl)butan-1-amine

C15H27N — CID 115778291

IUPAC1-(3-methyl-1-adamantyl)butan-1-amine
SMILESCCCC(N)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C15H27N/c1-3-4-13(16)15-8-11-5-12(9-15)7-14(2,6-11)10-15/h11-13H,3-10,16H2,1-2H3
InChIKeyLEMAZBYTHWPLAW-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-methyl-1-adamantyl)butan-1-amine

1-(3-methyl-1-adamantyl)butan-1-amine (PubChem CID 115778291) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(3-methyl-1-adamantyl)butan-1-amine.

Molecular Properties

Compound Name1-(3-methyl-1-adamantyl)butan-1-amine
PubChem CID115778291
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(3-methyl-1-adamantyl)butan-1-amine
SMILESCCCC(N)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C15H27N/c1-3-4-13(16)15-8-11-5-12(9-15)7-14(2,6-11)10-15/h11-13H,3-10,16H2,1-2H3
InChIKeyLEMAZBYTHWPLAW-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-adamantyl)butan-1-amine?
The IUPAC name of 1-(3-methyl-1-adamantyl)butan-1-amine (CID 115778291) is 1-(3-methyl-1-adamantyl)butan-1-amine.
What is the SMILES notation for 1-(3-methyl-1-adamantyl)butan-1-amine?
The canonical SMILES for 1-(3-methyl-1-adamantyl)butan-1-amine is CCCC(N)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3-methyl-1-adamantyl)butan-1-amine?
The InChIKey is LEMAZBYTHWPLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-4-13(16)15-8-11-5-12(9-15)7-14(2,6-11)10-15/h11-13H,3-10,16H2,1-2H3.
What are the key properties of 1-(3-methyl-1-adamantyl)butan-1-amine?
1-(3-methyl-1-adamantyl)butan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-adamantyl)butan-1-amine is sourced from PubChem (CID 115778291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).