2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine

C14H29N3O — CID 43207756

IUPAC2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCN1CCN(C(C)(C)CNCC2CCOC2)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,17-7-5-16(3)6-8-17)12-15-10-13-4-9-18-11-13/h13,15H,4-12H2,1-3H3
InChIKeyOCGIXZZTOWMZKQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.64
Rot. Bonds5

About 2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine

2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine (PubChem CID 43207756) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
PubChem CID43207756
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCN1CCN(C(C)(C)CNCC2CCOC2)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,17-7-5-16(3)6-8-17)12-15-10-13-4-9-18-11-13/h13,15H,4-12H2,1-3H3
InChIKeyOCGIXZZTOWMZKQ-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79708398
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol
CID 66170060
3-[(oxolan-3-ylmethylamino)methyl]pentan-3-ol
CID 65105346
2-ethoxy-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 114941316
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54866671
N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide
CID 115888011
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
CID 115887516
1-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920670
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine (CID 43207756) is 2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine is CN1CCN(C(C)(C)CNCC2CCOC2)CC1.
What is the InChIKey of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine?
The InChIKey is OCGIXZZTOWMZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,17-7-5-16(3)6-8-17)12-15-10-13-4-9-18-11-13/h13,15H,4-12H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine?
2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 43207756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).