(4-amino-1-adamantyl)-butylcarbamic acid

C15H26N2O2 — CID 123216217

IUPAC(4-amino-1-adamantyl)-butylcarbamic acid
SMILESCCCCN(C(=O)O)C12CC3CC(C1)C(N)C(C3)C2
InChIInChI=1S/C15H26N2O2/c1-2-3-4-17(14(18)19)15-7-10-5-11(8-15)13(16)12(6-10)9-15/h10-13H,2-9,16H2,1H3,(H,18,19)
InChIKeyXFEOFFXFTQXKTI-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.67
Rot. Bonds4

About (4-amino-1-adamantyl)-butylcarbamic acid

(4-amino-1-adamantyl)-butylcarbamic acid (PubChem CID 123216217) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (4-amino-1-adamantyl)-butylcarbamic acid.

Molecular Properties

Compound Name(4-amino-1-adamantyl)-butylcarbamic acid
PubChem CID123216217
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(4-amino-1-adamantyl)-butylcarbamic acid
SMILESCCCCN(C(=O)O)C12CC3CC(C1)C(N)C(C3)C2
InChIInChI=1S/C15H26N2O2/c1-2-3-4-17(14(18)19)15-7-10-5-11(8-15)13(16)12(6-10)9-15/h10-13H,2-9,16H2,1H3,(H,18,19)
InChIKeyXFEOFFXFTQXKTI-UHFFFAOYSA-N
XLogP2.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-adamantyl)-butylcarbamic acid?
The IUPAC name of (4-amino-1-adamantyl)-butylcarbamic acid (CID 123216217) is (4-amino-1-adamantyl)-butylcarbamic acid.
What is the SMILES notation for (4-amino-1-adamantyl)-butylcarbamic acid?
The canonical SMILES for (4-amino-1-adamantyl)-butylcarbamic acid is CCCCN(C(=O)O)C12CC3CC(C1)C(N)C(C3)C2.
What is the InChIKey of (4-amino-1-adamantyl)-butylcarbamic acid?
The InChIKey is XFEOFFXFTQXKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-3-4-17(14(18)19)15-7-10-5-11(8-15)13(16)12(6-10)9-15/h10-13H,2-9,16H2,1H3,(H,18,19).
What are the key properties of (4-amino-1-adamantyl)-butylcarbamic acid?
(4-amino-1-adamantyl)-butylcarbamic acid has a molecular weight of 266.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-adamantyl)-butylcarbamic acid is sourced from PubChem (CID 123216217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).