N-(2-methylidenebutyl)adamantan-1-amine

C15H25N — CID 66046867

IUPACN-(2-methylidenebutyl)adamantan-1-amine
SMILESC=C(CC)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N/c1-3-11(2)10-16-15-7-12-4-13(8-15)6-14(5-12)9-15/h12-14,16H,2-10H2,1H3
InChIKeyILHRMIOFWUGKJT-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.51
Rot. Bonds4

About N-(2-methylidenebutyl)adamantan-1-amine

N-(2-methylidenebutyl)adamantan-1-amine (PubChem CID 66046867) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-(2-methylidenebutyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(2-methylidenebutyl)adamantan-1-amine
PubChem CID66046867
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-(2-methylidenebutyl)adamantan-1-amine
SMILESC=C(CC)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N/c1-3-11(2)10-16-15-7-12-4-13(8-15)6-14(5-12)9-15/h12-14,16H,2-10H2,1H3
InChIKeyILHRMIOFWUGKJT-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenebutyl)adamantan-1-amine?
The IUPAC name of N-(2-methylidenebutyl)adamantan-1-amine (CID 66046867) is N-(2-methylidenebutyl)adamantan-1-amine.
What is the SMILES notation for N-(2-methylidenebutyl)adamantan-1-amine?
The canonical SMILES for N-(2-methylidenebutyl)adamantan-1-amine is C=C(CC)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-methylidenebutyl)adamantan-1-amine?
The InChIKey is ILHRMIOFWUGKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-11(2)10-16-15-7-12-4-13(8-15)6-14(5-12)9-15/h12-14,16H,2-10H2,1H3.
What are the key properties of N-(2-methylidenebutyl)adamantan-1-amine?
N-(2-methylidenebutyl)adamantan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutyl)adamantan-1-amine is sourced from PubChem (CID 66046867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).