2-propan-2-yladamantan-1-amine

C13H23N — CID 71452178

IUPAC2-propan-2-yladamantan-1-amine
SMILESCC(C)C1C2CC3CC(C2)CC1(N)C3
InChIInChI=1S/C13H23N/c1-8(2)12-11-4-9-3-10(5-11)7-13(12,14)6-9/h8-12H,3-7,14H2,1-2H3
InChIKeyWVEVSRYFAWXVMQ-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.80
Rot. Bonds1

About 2-propan-2-yladamantan-1-amine

2-propan-2-yladamantan-1-amine (PubChem CID 71452178) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-propan-2-yladamantan-1-amine.

Molecular Properties

Compound Name2-propan-2-yladamantan-1-amine
PubChem CID71452178
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-propan-2-yladamantan-1-amine
SMILESCC(C)C1C2CC3CC(C2)CC1(N)C3
InChIInChI=1S/C13H23N/c1-8(2)12-11-4-9-3-10(5-11)7-13(12,14)6-9/h8-12H,3-7,14H2,1-2H3
InChIKeyWVEVSRYFAWXVMQ-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yladamantan-1-amine?
The IUPAC name of 2-propan-2-yladamantan-1-amine (CID 71452178) is 2-propan-2-yladamantan-1-amine.
What is the SMILES notation for 2-propan-2-yladamantan-1-amine?
The canonical SMILES for 2-propan-2-yladamantan-1-amine is CC(C)C1C2CC3CC(C2)CC1(N)C3.
What is the InChIKey of 2-propan-2-yladamantan-1-amine?
The InChIKey is WVEVSRYFAWXVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-8(2)12-11-4-9-3-10(5-11)7-13(12,14)6-9/h8-12H,3-7,14H2,1-2H3.
What are the key properties of 2-propan-2-yladamantan-1-amine?
2-propan-2-yladamantan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yladamantan-1-amine is sourced from PubChem (CID 71452178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).