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

C14H27N3O — CID 62261496

IUPACN-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCN1CCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-5-7-17(8-6-16)11-14(4-9-18-12-14)10-15-13-2-3-13/h13,15H,2-12H2,1H3
InChIKeyBMVBDYDELDRYOO-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.39
Rot. Bonds5

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

N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62261496) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62261496
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCN1CCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-5-7-17(8-6-16)11-14(4-9-18-12-14)10-15-13-2-3-13/h13,15H,2-12H2,1H3
InChIKeyBMVBDYDELDRYOO-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62261496) is N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is CN1CCN(CC2(CNC3CC3)CCOC2)CC1.
What is the InChIKey of N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is BMVBDYDELDRYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-5-7-17(8-6-16)11-14(4-9-18-12-14)10-15-13-2-3-13/h13,15H,2-12H2,1H3.
What are the key properties of N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 253.39 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62261496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).