N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

C15H29N3O — CID 62262783

IUPACN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCN1CCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C15H29N3O/c1-2-17-6-8-18(9-7-17)12-15(5-10-19-13-15)11-16-14-3-4-14/h14,16H,2-13H2,1H3
InChIKeyJDQSMFICZSGJSJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.78
Rot. Bonds6

About N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62262783) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62262783
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCN1CCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C15H29N3O/c1-2-17-6-8-18(9-7-17)12-15(5-10-19-13-15)11-16-14-3-4-14/h14,16H,2-13H2,1H3
InChIKeyJDQSMFICZSGJSJ-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62262783) is N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is CCN1CCN(CC2(CNC3CC3)CCOC2)CC1.
What is the InChIKey of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is JDQSMFICZSGJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-17-6-8-18(9-7-17)12-15(5-10-19-13-15)11-16-14-3-4-14/h14,16H,2-13H2,1H3.
What are the key properties of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 267.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62262783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).