1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

C12H26N2O2 — CID 107505898

IUPAC1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(COC)CN(C)CCOCC1CC1
InChIInChI=1S/C12H26N2O2/c1-13-12(10-15-3)8-14(2)6-7-16-9-11-4-5-11/h11-13H,4-10H2,1-3H3
InChIKeyNPJQOGGPQMMSHS-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.58
Rot. Bonds10

About 1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 107505898) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID107505898
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(COC)CN(C)CCOCC1CC1
InChIInChI=1S/C12H26N2O2/c1-13-12(10-15-3)8-14(2)6-7-16-9-11-4-5-11/h11-13H,4-10H2,1-3H3
InChIKeyNPJQOGGPQMMSHS-UHFFFAOYSA-N
XLogP0.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 107505670
methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
CID 79006432
(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 167207521
3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol
CID 64825404
1-cyclopentyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745174
N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane
CID 155750820
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol
CID 104753034
ethyl 4-[2-(cyclopropylmethoxy)ethyl-methylamino]-3-hydroxybutanoate
CID 82769393
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine
CID 115873242
1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea
CID 115687552
N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291370
N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine
CID 83111882

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (CID 107505898) is 1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is CNC(COC)CN(C)CCOCC1CC1.
What is the InChIKey of 1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is NPJQOGGPQMMSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-13-12(10-15-3)8-14(2)6-7-16-9-11-4-5-11/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 107505898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).