2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine

C15H31N3O — CID 116520991

IUPAC2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC1(C)CCC(CN2CCN(C(C)(C)CN)CC2)O1
InChIInChI=1S/C15H31N3O/c1-14(2,12-16)18-9-7-17(8-10-18)11-13-5-6-15(3,4)19-13/h13H,5-12,16H2,1-4H3
InChIKeyRLFGCYZYQWDCIT-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.30
Rot. Bonds4

About 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine

2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 116520991) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID116520991
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC1(C)CCC(CN2CCN(C(C)(C)CN)CC2)O1
InChIInChI=1S/C15H31N3O/c1-14(2,12-16)18-9-7-17(8-10-18)11-13-5-6-15(3,4)19-13/h13H,5-12,16H2,1-4H3
InChIKeyRLFGCYZYQWDCIT-UHFFFAOYSA-N
XLogP1.30
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 116535197
2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 116535200
6,6,6-Trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
CID 116535368
1-Tert-butyl-4-(oxolan-2-ylmethyl)piperazine
CID 58466370
2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 130315683
2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 130315684
1-(2-Methylbutan-2-yl)-4-(oxolan-2-ylmethyl)piperazine
CID 130315973
Ethane;1-(oxolan-2-ylmethyl)piperazine
CID 145338725
Ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane
CID 145365004
1-N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1-N,3-dimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 169636552
1-[[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]methyl]piperazine
CID 173746758
2,2,6,6-Tetramethyl-1-(oxolan-2-ylmethyl)piperidine
CID 173784302

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine (CID 116520991) is 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine is CC1(C)CCC(CN2CCN(C(C)(C)CN)CC2)O1.
What is the InChIKey of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is RLFGCYZYQWDCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2,12-16)18-9-7-17(8-10-18)11-13-5-6-15(3,4)19-13/h13H,5-12,16H2,1-4H3.
What are the key properties of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116520991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).