N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine

C11H24N2O — CID 65164090

IUPACN',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCC1CCCO1
InChIInChI=1S/C11H24N2O/c1-13(2)9-4-7-12-8-6-11-5-3-10-14-11/h11-12H,3-10H2,1-2H3
InChIKeyBJKKNHSYCFZHJR-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds7

About N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine (PubChem CID 65164090) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
PubChem CID65164090
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCC1CCCO1
InChIInChI=1S/C11H24N2O/c1-13(2)9-4-7-12-8-6-11-5-3-10-14-11/h11-12H,3-10H2,1-2H3
InChIKeyBJKKNHSYCFZHJR-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 65163903
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine
CID 65163921
5-[2-(oxolan-2-yl)ethylamino]pentanamide
CID 106237094
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine
CID 105416779
N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994233
1-[3-(dimethylamino)propyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 27450952
N-[2-(oxolan-2-yl)ethyl]prop-2-yn-1-amine
CID 62141075
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 114472115
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine (CID 65164090) is N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine is CN(C)CCCNCCC1CCCO1.
What is the InChIKey of N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine?
The InChIKey is BJKKNHSYCFZHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-13(2)9-4-7-12-8-6-11-5-3-10-14-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 65164090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).