N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine

C11H24N2O — CID 82835095

IUPACN-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)C1CCCO1
InChIInChI=1S/C11H24N2O/c1-4-9(2)13(3)10(8-12)11-6-5-7-14-11/h9-11H,4-8,12H2,1-3H3
InChIKeyNMFGPVQPIFMECR-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.22
Rot. Bonds5

About N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine

N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835095) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
PubChem CID82835095
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)C1CCCO1
InChIInChI=1S/C11H24N2O/c1-4-9(2)13(3)10(8-12)11-6-5-7-14-11/h9-11H,4-8,12H2,1-3H3
InChIKeyNMFGPVQPIFMECR-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine
CID 82835493
N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine
CID 82836501
N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835210
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82836412
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835302
1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 82835407
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835800
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
2-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65165961
N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441277
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-N-methylethane-1,2-diamine
CID 116651488

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine (CID 82835095) is N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine is CCC(C)N(C)C(CN)C1CCCO1.
What is the InChIKey of N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine?
The InChIKey is NMFGPVQPIFMECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-9(2)13(3)10(8-12)11-6-5-7-14-11/h9-11H,4-8,12H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine?
N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).