N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine

C15H29N3O — CID 62270252

IUPACN-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(C3CC3)CC2)CCOC1
InChIInChI=1S/C15H29N3O/c1-2-16-11-15(5-10-19-13-15)12-17-6-8-18(9-7-17)14-3-4-14/h14,16H,2-13H2,1H3
InChIKeyJAFFLUGCVAAFHY-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.78
Rot. Bonds6

About N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine

N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 62270252) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID62270252
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(C3CC3)CC2)CCOC1
InChIInChI=1S/C15H29N3O/c1-2-16-11-15(5-10-19-13-15)12-17-6-8-18(9-7-17)14-3-4-14/h14,16H,2-13H2,1H3
InChIKeyJAFFLUGCVAAFHY-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-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine (CID 62270252) is N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CN2CCN(C3CC3)CC2)CCOC1.
What is the InChIKey of N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is JAFFLUGCVAAFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-16-11-15(5-10-19-13-15)12-17-6-8-18(9-7-17)14-3-4-14/h14,16H,2-13H2,1H3.
What are the key properties of N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine 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-cyclopropylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62270252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).