[4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine

C12H24N2O — CID 114397851

IUPAC[4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine
SMILESCC1(C)CCC(N2CCOC(CN)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2)4-3-10(7-12)14-5-6-15-11(8-13)9-14/h10-11H,3-9,13H2,1-2H3
InChIKeyKHOKTVYSJGPCEU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.22
Rot. Bonds2

About [4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine

[4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine (PubChem CID 114397851) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine
PubChem CID114397851
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine
SMILESCC1(C)CCC(N2CCOC(CN)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2)4-3-10(7-12)14-5-6-15-11(8-13)9-14/h10-11H,3-9,13H2,1-2H3
InChIKeyKHOKTVYSJGPCEU-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine (CID 114397851) is [4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine is CC1(C)CCC(N2CCOC(CN)C2)C1.
What is the InChIKey of [4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine?
The InChIKey is KHOKTVYSJGPCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2)4-3-10(7-12)14-5-6-15-11(8-13)9-14/h10-11H,3-9,13H2,1-2H3.
What are the key properties of [4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine?
[4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 114397851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).