N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine

C14H26N2O2 — CID 79543757

IUPACN-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESC1CNC(C2CCCC2NCC2COCCO2)C1
InChIInChI=1S/C14H26N2O2/c1-3-12(13-5-2-6-15-13)14(4-1)16-9-11-10-17-7-8-18-11/h11-16H,1-10H2
InChIKeyVTRUSEDMDOWYBR-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.91
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine

N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine (PubChem CID 79543757) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
PubChem CID79543757
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESC1CNC(C2CCCC2NCC2COCCO2)C1
InChIInChI=1S/C14H26N2O2/c1-3-12(13-5-2-6-15-13)14(4-1)16-9-11-10-17-7-8-18-11/h11-16H,1-10H2
InChIKeyVTRUSEDMDOWYBR-UHFFFAOYSA-N
XLogP0.91
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine (CID 79543757) is N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine is C1CNC(C2CCCC2NCC2COCCO2)C1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The InChIKey is VTRUSEDMDOWYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-12(13-5-2-6-15-13)14(4-1)16-9-11-10-17-7-8-18-11/h11-16H,1-10H2.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine has a molecular weight of 254.37 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 79543757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).