3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine

C13H29N3O2 — CID 79303319

IUPAC3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
SMILESCOC(OC)C(C)(CN)N(C)CC1CCCN1C
InChIInChI=1S/C13H29N3O2/c1-13(10-14,12(17-4)18-5)16(3)9-11-7-6-8-15(11)2/h11-12H,6-10,14H2,1-5H3
InChIKeyXZQILRLKLHNEBX-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.35
Rot. Bonds7

About 3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine

3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine (PubChem CID 79303319) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
PubChem CID79303319
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
SMILESCOC(OC)C(C)(CN)N(C)CC1CCCN1C
InChIInChI=1S/C13H29N3O2/c1-13(10-14,12(17-4)18-5)16(3)9-11-7-6-8-15(11)2/h11-12H,6-10,14H2,1-5H3
InChIKeyXZQILRLKLHNEBX-UHFFFAOYSA-N
XLogP0.35
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
CID 66179062
2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine
CID 79303527
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine
CID 104682305
2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 81005238
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 59904541
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 79319228
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
CID 79313720
1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303833
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848203
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine (CID 79303319) is 3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine is COC(OC)C(C)(CN)N(C)CC1CCCN1C.
What is the InChIKey of 3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine?
The InChIKey is XZQILRLKLHNEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-13(10-14,12(17-4)18-5)16(3)9-11-7-6-8-15(11)2/h11-12H,6-10,14H2,1-5H3.
What are the key properties of 3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine?
3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine has a molecular weight of 259.39 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 79303319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).