N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine

C16H26N2O — CID 55097704

IUPACN'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine
SMILESC=CCOc1ccccc1CNCCN(C)C(C)C
InChIInChI=1S/C16H26N2O/c1-5-12-19-16-9-7-6-8-15(16)13-17-10-11-18(4)14(2)3/h5-9,14,17H,1,10-13H2,2-4H3
InChIKeyPFFOLXTWHJYHQY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.68
Rot. Bonds9

About N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine

N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 55097704) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID55097704
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine
SMILESC=CCOc1ccccc1CNCCN(C)C(C)C
InChIInChI=1S/C16H26N2O/c1-5-12-19-16-9-7-6-8-15(16)13-17-10-11-18(4)14(2)3/h5-9,14,17H,1,10-13H2,2-4H3
InChIKeyPFFOLXTWHJYHQY-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine
CID 82946208
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 115581406
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111556669
2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 61170859
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
2,2-diethoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 78910495
N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine
CID 103701789

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine (CID 55097704) is N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine is C=CCOc1ccccc1CNCCN(C)C(C)C.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is PFFOLXTWHJYHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-12-19-16-9-7-6-8-15(16)13-17-10-11-18(4)14(2)3/h5-9,14,17H,1,10-13H2,2-4H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine?
N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55097704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).