4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine

C13H30N2O — CID 62475448

IUPAC4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
SMILESCOCCC(N)CN(CC(C)C)CC(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)8-15(9-12(3)4)10-13(14)6-7-16-5/h11-13H,6-10,14H2,1-5H3
InChIKeyBOAGUQFTWOEGBJ-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.96
Rot. Bonds9

About 4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine

4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine (PubChem CID 62475448) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
PubChem CID62475448
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
SMILESCOCCC(N)CN(CC(C)C)CC(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)8-15(9-12(3)4)10-13(14)6-7-16-5/h11-13H,6-10,14H2,1-5H3
InChIKeyBOAGUQFTWOEGBJ-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine
CID 81101510
ethane;1-methoxy-3-methylbutane
CID 144580604
1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine
CID 62477993
1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475612
N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81079086
2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
CID 63055687
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203
1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43650469
1-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butan-2-ol
CID 64822021
1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
CID 61447801
1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine
CID 81101024
5-methoxy-1-N-(2-methoxyethyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 82951400

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine (CID 62475448) is 4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine is COCCC(N)CN(CC(C)C)CC(C)C.
What is the InChIKey of 4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine?
The InChIKey is BOAGUQFTWOEGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(2)8-15(9-12(3)4)10-13(14)6-7-16-5/h11-13H,6-10,14H2,1-5H3.
What are the key properties of 4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine?
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 62475448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).