N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine

C10H22N2O — CID 82836501

IUPACN-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CN)C1CCCO1
InChIInChI=1S/C10H22N2O/c1-3-6-12(2)9(8-11)10-5-4-7-13-10/h9-10H,3-8,11H2,1-2H3
InChIKeyHNJXQIWEGUCQHD-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.83
Rot. Bonds5

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

N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine (PubChem CID 82836501) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine
PubChem CID82836501
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CN)C1CCCO1
InChIInChI=1S/C10H22N2O/c1-3-6-12(2)9(8-11)10-5-4-7-13-10/h9-10H,3-8,11H2,1-2H3
InChIKeyHNJXQIWEGUCQHD-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.83
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-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835095
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835800
N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835210
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835302
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82836412
N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
CID 62070003
1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 82835407
(2S)-2-[(1R)-1-iodohexyl]oxolane
CID 101448708
2-(dipropoxymethyl)oxolane
CID 12664780
2-N-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61431468
N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441277

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine (CID 82836501) is N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine is CCCN(C)C(CN)C1CCCO1.
What is the InChIKey of N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine?
The InChIKey is HNJXQIWEGUCQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-6-12(2)9(8-11)10-5-4-7-13-10/h9-10H,3-8,11H2,1-2H3.
What are the key properties of N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine?
N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 82836501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).