N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine

C7H16N2O — CID 134383464

IUPACN-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine
SMILESCNC(CN)[C@@H]1CCCO1
InChIInChI=1S/C7H16N2O/c1-9-6(5-8)7-3-2-4-10-7/h6-7,9H,2-5,8H2,1H3/t6?,7-/m0/s1
InChIKeyNUMKNQLLHCTZFW-MLWJPKLSSA-N
MW144.22 g/mol
LogP-0.29
Rot. Bonds3

About N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine

N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine (PubChem CID 134383464) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine
PubChem CID134383464
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine
SMILESCNC(CN)[C@@H]1CCCO1
InChIInChI=1S/C7H16N2O/c1-9-6(5-8)7-3-2-4-10-7/h6-7,9H,2-5,8H2,1H3/t6?,7-/m0/s1
InChIKeyNUMKNQLLHCTZFW-MLWJPKLSSA-N
XLogP-0.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine?
The IUPAC name of N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine (CID 134383464) is N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine is CNC(CN)[C@@H]1CCCO1.
What is the InChIKey of N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine?
The InChIKey is NUMKNQLLHCTZFW-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9-6(5-8)7-3-2-4-10-7/h6-7,9H,2-5,8H2,1H3/t6?,7-/m0/s1.
What are the key properties of N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine?
N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine has a molecular weight of 144.22 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S)-oxolan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 134383464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).