N-butan-2-yladamantan-1-amine

C14H25N — CID 3010106

IUPACN-butan-2-yladamantan-1-amine
SMILESCCC(C)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25N/c1-3-10(2)15-14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13,15H,3-9H2,1-2H3
InChIKeyXGPRBESDEDXVFH-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.34
Rot. Bonds3

About N-butan-2-yladamantan-1-amine

N-butan-2-yladamantan-1-amine (PubChem CID 3010106) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-butan-2-yladamantan-1-amine.

Molecular Properties

Compound NameN-butan-2-yladamantan-1-amine
PubChem CID3010106
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-butan-2-yladamantan-1-amine
SMILESCCC(C)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25N/c1-3-10(2)15-14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13,15H,3-9H2,1-2H3
InChIKeyXGPRBESDEDXVFH-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yladamantan-1-amine?
The IUPAC name of N-butan-2-yladamantan-1-amine (CID 3010106) is N-butan-2-yladamantan-1-amine.
What is the SMILES notation for N-butan-2-yladamantan-1-amine?
The canonical SMILES for N-butan-2-yladamantan-1-amine is CCC(C)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-butan-2-yladamantan-1-amine?
The InChIKey is XGPRBESDEDXVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-3-10(2)15-14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13,15H,3-9H2,1-2H3.
What are the key properties of N-butan-2-yladamantan-1-amine?
N-butan-2-yladamantan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yladamantan-1-amine is sourced from PubChem (CID 3010106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).