3-butyl-N-methyladamantan-1-amine

C15H27N — CID 5276637

IUPAC3-butyl-N-methyladamantan-1-amine
SMILESCCCCC12CC3CC(C1)CC(NC)(C3)C2
InChIInChI=1S/C15H27N/c1-3-4-5-14-7-12-6-13(8-14)10-15(9-12,11-14)16-2/h12-13,16H,3-11H2,1-2H3
InChIKeyPTJZYMGQONNYKV-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.73
Rot. Bonds4

About 3-butyl-N-methyladamantan-1-amine

3-butyl-N-methyladamantan-1-amine (PubChem CID 5276637) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 3-butyl-N-methyladamantan-1-amine.

Molecular Properties

Compound Name3-butyl-N-methyladamantan-1-amine
PubChem CID5276637
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name3-butyl-N-methyladamantan-1-amine
SMILESCCCCC12CC3CC(C1)CC(NC)(C3)C2
InChIInChI=1S/C15H27N/c1-3-4-5-14-7-12-6-13(8-14)10-15(9-12,11-14)16-2/h12-13,16H,3-11H2,1-2H3
InChIKeyPTJZYMGQONNYKV-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-methyladamantan-1-amine?
The IUPAC name of 3-butyl-N-methyladamantan-1-amine (CID 5276637) is 3-butyl-N-methyladamantan-1-amine.
What is the SMILES notation for 3-butyl-N-methyladamantan-1-amine?
The canonical SMILES for 3-butyl-N-methyladamantan-1-amine is CCCCC12CC3CC(C1)CC(NC)(C3)C2.
What is the InChIKey of 3-butyl-N-methyladamantan-1-amine?
The InChIKey is PTJZYMGQONNYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-4-5-14-7-12-6-13(8-14)10-15(9-12,11-14)16-2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 3-butyl-N-methyladamantan-1-amine?
3-butyl-N-methyladamantan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-methyladamantan-1-amine is sourced from PubChem (CID 5276637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).