4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine

C13H30N2O — CID 102913664

IUPAC4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
SMILESCOCCC(N)CNCC(C(C)C)C(C)C
InChIInChI=1S/C13H30N2O/c1-10(2)13(11(3)4)9-15-8-12(14)6-7-16-5/h10-13,15H,6-9,14H2,1-5H3
InChIKeyBDJHHDXRINKTSM-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.87
Rot. Bonds9

About 4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine

4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine (PubChem CID 102913664) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
PubChem CID102913664
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
SMILESCOCCC(N)CNCC(C(C)C)C(C)C
InChIInChI=1S/C13H30N2O/c1-10(2)13(11(3)4)9-15-8-12(14)6-7-16-5/h10-13,15H,6-9,14H2,1-5H3
InChIKeyBDJHHDXRINKTSM-UHFFFAOYSA-N
XLogP1.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-1-N-propylbutane-1,2-diamine
CID 62477493
N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904402
4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine
CID 106293951
4-methoxy-1-N-(4,4,4-trifluorobutyl)butane-1,2-diamine
CID 115520240
4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine
CID 62477835
1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine
CID 65041304
4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
CID 62523205
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
1-N-(2-aminopentyl)pentane-1,2-diamine
CID 139611076
3-(2-methoxyethyl)-4-methylpentan-2-ol
CID 62915702
3-(1-chloroethyl)-1-methoxy-4-methylpentane
CID 62914980
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine (CID 102913664) is 4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine is COCCC(N)CNCC(C(C)C)C(C)C.
What is the InChIKey of 4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine?
The InChIKey is BDJHHDXRINKTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-10(2)13(11(3)4)9-15-8-12(14)6-7-16-5/h10-13,15H,6-9,14H2,1-5H3.
What are the key properties of 4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine?
4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine is sourced from PubChem (CID 102913664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).