[3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine

C17H33N3O — CID 79911756

IUPAC[3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCN(CC3CC3)CC2)C(C)(C)O1
InChIInChI=1S/C17H33N3O/c1-15(2)12-17(13-18,16(3,4)21-15)20-9-7-19(8-10-20)11-14-5-6-14/h14H,5-13,18H2,1-4H3
InChIKeyIWMAPCPNQSLAMN-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.69
Rot. Bonds4

About [3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine

[3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine (PubChem CID 79911756) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is [3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine
PubChem CID79911756
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name[3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCN(CC3CC3)CC2)C(C)(C)O1
InChIInChI=1S/C17H33N3O/c1-15(2)12-17(13-18,16(3,4)21-15)20-9-7-19(8-10-20)11-14-5-6-14/h14H,5-13,18H2,1-4H3
InChIKeyIWMAPCPNQSLAMN-UHFFFAOYSA-N
XLogP1.69
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The IUPAC name of [3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine (CID 79911756) is [3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The canonical SMILES for [3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine is CC1(C)CC(CN)(N2CCN(CC3CC3)CC2)C(C)(C)O1.
What is the InChIKey of [3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The InChIKey is IWMAPCPNQSLAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(2)12-17(13-18,16(3,4)21-15)20-9-7-19(8-10-20)11-14-5-6-14/h14H,5-13,18H2,1-4H3.
What are the key properties of [3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
[3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine has a molecular weight of 295.47 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2,5,5-tetramethyloxolan-3-yl]methanamine is sourced from PubChem (CID 79911756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).