N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine

C11H24N2O — CID 104856033

IUPACN'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)C[C@H]1CCCO1
InChIInChI=1S/C11H24N2O/c1-3-6-12-7-8-13(2)10-11-5-4-9-14-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyGNQIIASLZSQOHI-LLVKDONJSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds7

About N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine

N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine (PubChem CID 104856033) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
PubChem CID104856033
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)C[C@H]1CCCO1
InChIInChI=1S/C11H24N2O/c1-3-6-12-7-8-13(2)10-11-5-4-9-14-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyGNQIIASLZSQOHI-LLVKDONJSA-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'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
CID 62555308
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62555468
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N'-methyl-N-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 62561860
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine (CID 104856033) is N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine is CCCNCCN(C)C[C@H]1CCCO1.
What is the InChIKey of N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine?
The InChIKey is GNQIIASLZSQOHI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-6-12-7-8-13(2)10-11-5-4-9-14-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine?
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-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'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 104856033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).