4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

C10H24N2O — CID 156812054

IUPAC4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCNC(CCOC)CN(C)C(C)C
InChIInChI=1S/C10H24N2O/c1-9(2)12(4)8-10(11-3)6-7-13-5/h9-11H,6-8H2,1-5H3
InChIKeyYQROPMHTPKFXAP-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.95
Rot. Bonds7

About 4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 156812054) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID156812054
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCNC(CCOC)CN(C)C(C)C
InChIInChI=1S/C10H24N2O/c1-9(2)12(4)8-10(11-3)6-7-13-5/h9-11H,6-8H2,1-5H3
InChIKeyYQROPMHTPKFXAP-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62476129
1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62476307
4-methoxy-1-N-propyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62476466
4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62476467
4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62476973
N-(4-ethoxybutyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553664
4-methoxy-1-N-(3,3,3-trifluoropropyl)butane-1,2-diamine
CID 63227805
4-methoxy-1-N-methyl-1-N-(3,3,3-trifluoropropyl)butane-1,2-diamine
CID 65539234
4-methoxy-1-N-(4,4,4-trifluorobutan-2-yl)butane-1,2-diamine
CID 105946187
4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine
CID 106293951
1-N-(2,2-difluoroethyl)-4-methoxybutane-1,2-diamine
CID 115407398
4-methoxy-1-N-(4,4,4-trifluorobutyl)butane-1,2-diamine
CID 115520240

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (CID 156812054) is 4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is CNC(CCOC)CN(C)C(C)C.
What is the InChIKey of 4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is YQROPMHTPKFXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(2)12(4)8-10(11-3)6-7-13-5/h9-11H,6-8H2,1-5H3.
What are the key properties of 4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 188.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 156812054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).