1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine

C10H24N2O — CID 62475612

IUPAC1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine
SMILESCCC(C)N(C)CC(N)CCOC
InChIInChI=1S/C10H24N2O/c1-5-9(2)12(3)8-10(11)6-7-13-4/h9-10H,5-8,11H2,1-4H3
InChIKeyJACYFXYCEKUOIQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.08
Rot. Bonds7

About 1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine

1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine (PubChem CID 62475612) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine
PubChem CID62475612
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine
SMILESCCC(C)N(C)CC(N)CCOC
InChIInChI=1S/C10H24N2O/c1-5-9(2)12(3)8-10(11)6-7-13-4/h9-10H,5-8,11H2,1-4H3
InChIKeyJACYFXYCEKUOIQ-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-butan-2-yl-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761505
1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine
CID 62477993
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448
4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 62478000
4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
CID 63859672
1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine
CID 61453428
N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine
CID 66223820
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
4-methoxy-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63208714
1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
CID 158816620
3-ethyl-5-methoxypentan-2-amine
CID 61000817

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine (CID 62475612) is 1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine is CCC(C)N(C)CC(N)CCOC.
What is the InChIKey of 1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine?
The InChIKey is JACYFXYCEKUOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-9(2)12(3)8-10(11)6-7-13-4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine?
1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62475612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).