N'-methyl-1-prop-2-enoxyethane-1,2-diamine

C6H14N2O — CID 174449150

IUPACN'-methyl-1-prop-2-enoxyethane-1,2-diamine
SMILESC=CCOC(N)CNC
InChIInChI=1S/C6H14N2O/c1-3-4-9-6(7)5-8-2/h3,6,8H,1,4-5,7H2,2H3
InChIKeyQVINUPWJLYJRCB-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.31
Rot. Bonds5

About N'-methyl-1-prop-2-enoxyethane-1,2-diamine

N'-methyl-1-prop-2-enoxyethane-1,2-diamine (PubChem CID 174449150) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N'-methyl-1-prop-2-enoxyethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-prop-2-enoxyethane-1,2-diamine
PubChem CID174449150
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN'-methyl-1-prop-2-enoxyethane-1,2-diamine
SMILESC=CCOC(N)CNC
InChIInChI=1S/C6H14N2O/c1-3-4-9-6(7)5-8-2/h3,6,8H,1,4-5,7H2,2H3
InChIKeyQVINUPWJLYJRCB-UHFFFAOYSA-N
XLogP-0.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-2-prop-2-enoxybutan-1-amine
CID 62442257
1,2-bis(prop-2-enoxy)propan-1-amine
CID 88546500
(2S)-2-prop-2-enoxypropan-1-amine
CID 55273879
N-ethyl-2-prop-2-enoxypropan-1-amine
CID 62442088
1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine
CID 87793323
1-chloro-2-prop-2-enoxyethanamine;hydrochloride
CID 174944456
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
N-(2-prop-2-enoxypropyl)pentan-1-amine
CID 62571759
3-methyl-2-prop-2-enoxybutan-1-amine
CID 14954769
2-ethyl-N-methylpent-4-en-1-amine
CID 131051104
dimethyl-bis(1-prop-2-enoxyethyl)azanium
CID 87092032
2,5-bis(prop-2-enoxy)hex-3-yne
CID 54201306

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-prop-2-enoxyethane-1,2-diamine?
The IUPAC name of N'-methyl-1-prop-2-enoxyethane-1,2-diamine (CID 174449150) is N'-methyl-1-prop-2-enoxyethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-prop-2-enoxyethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-prop-2-enoxyethane-1,2-diamine is C=CCOC(N)CNC.
What is the InChIKey of N'-methyl-1-prop-2-enoxyethane-1,2-diamine?
The InChIKey is QVINUPWJLYJRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-4-9-6(7)5-8-2/h3,6,8H,1,4-5,7H2,2H3.
What are the key properties of N'-methyl-1-prop-2-enoxyethane-1,2-diamine?
N'-methyl-1-prop-2-enoxyethane-1,2-diamine has a molecular weight of 130.19 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-prop-2-enoxyethane-1,2-diamine is sourced from PubChem (CID 174449150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).