2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine

C14H29N3O — CID 113483692

IUPAC2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine
SMILESCN1CCC(N(C)C(C)(CN)C2CCOC2)CC1
InChIInChI=1S/C14H29N3O/c1-14(11-15,12-6-9-18-10-12)17(3)13-4-7-16(2)8-5-13/h12-13H,4-11,15H2,1-3H3
InChIKeyQIAQROSYMXOMJA-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.77
Rot. Bonds4

About 2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine

2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine (PubChem CID 113483692) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine
PubChem CID113483692
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine
SMILESCN1CCC(N(C)C(C)(CN)C2CCOC2)CC1
InChIInChI=1S/C14H29N3O/c1-14(11-15,12-6-9-18-10-12)17(3)13-4-7-16(2)8-5-13/h12-13H,4-11,15H2,1-3H3
InChIKeyQIAQROSYMXOMJA-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 60709756
2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 113483736
4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 66178631
N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386119
2-(oxolan-3-yl)butane-1,2-diamine
CID 130503517
N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 167009666
2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine
CID 113483694
N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
CID 54942199
3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115154624
2-cyclopropyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 16777955
2-(oxolan-3-yl)propane-2-thiol
CID 126657698
2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine
CID 115200323

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine (CID 113483692) is 2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine is CN1CCC(N(C)C(C)(CN)C2CCOC2)CC1.
What is the InChIKey of 2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine?
The InChIKey is QIAQROSYMXOMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(11-15,12-6-9-18-10-12)17(3)13-4-7-16(2)8-5-13/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine?
2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine has a molecular weight of 255.41 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 113483692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).