N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine

C12H23NO2 — CID 67455188

IUPACN-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine
SMILESCC1(C)OCC(CNC2CCCC2)CO1
InChIInChI=1S/C12H23NO2/c1-12(2)14-8-10(9-15-12)7-13-11-5-3-4-6-11/h10-11,13H,3-9H2,1-2H3
InChIKeyNEXGNHZJZRNAPF-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.92
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine

N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine (PubChem CID 67455188) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine
PubChem CID67455188
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine
SMILESCC1(C)OCC(CNC2CCCC2)CO1
InChIInChI=1S/C12H23NO2/c1-12(2)14-8-10(9-15-12)7-13-11-5-3-4-6-11/h10-11,13H,3-9H2,1-2H3
InChIKeyNEXGNHZJZRNAPF-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine (CID 67455188) is N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine is CC1(C)OCC(CNC2CCCC2)CO1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine?
The InChIKey is NEXGNHZJZRNAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2)14-8-10(9-15-12)7-13-11-5-3-4-6-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine?
N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine has a molecular weight of 213.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 67455188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).