propan-1-ol;N,2,2-trimethylcyclopentan-1-amine

C11H25NO — CID 89249500

IUPACpropan-1-ol;N,2,2-trimethylcyclopentan-1-amine
SMILESCCCO.CNC1CCCC1(C)C
InChIInChI=1S/C8H17N.C3H8O/c1-8(2)6-4-5-7(8)9-3;1-2-3-4/h7,9H,4-6H2,1-3H3;4H,2-3H2,1H3
InChIKeyMMXTZMMTGPSAEV-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds2

About propan-1-ol;N,2,2-trimethylcyclopentan-1-amine

propan-1-ol;N,2,2-trimethylcyclopentan-1-amine (PubChem CID 89249500) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is propan-1-ol;N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Namepropan-1-ol;N,2,2-trimethylcyclopentan-1-amine
PubChem CID89249500
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Namepropan-1-ol;N,2,2-trimethylcyclopentan-1-amine
SMILESCCCO.CNC1CCCC1(C)C
InChIInChI=1S/C8H17N.C3H8O/c1-8(2)6-4-5-7(8)9-3;1-2-3-4/h7,9H,4-6H2,1-3H3;4H,2-3H2,1H3
InChIKeyMMXTZMMTGPSAEV-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-1-ol;N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of propan-1-ol;N,2,2-trimethylcyclopentan-1-amine (CID 89249500) is propan-1-ol;N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for propan-1-ol;N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for propan-1-ol;N,2,2-trimethylcyclopentan-1-amine is CCCO.CNC1CCCC1(C)C.
What is the InChIKey of propan-1-ol;N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is MMXTZMMTGPSAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C3H8O/c1-8(2)6-4-5-7(8)9-3;1-2-3-4/h7,9H,4-6H2,1-3H3;4H,2-3H2,1H3.
What are the key properties of propan-1-ol;N,2,2-trimethylcyclopentan-1-amine?
propan-1-ol;N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 89249500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).