3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine

C13H30N2O — CID 81056050

IUPAC3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine
SMILESCCCC(N)C(CC)N(C)CCOC(C)C
InChIInChI=1S/C13H30N2O/c1-6-8-12(14)13(7-2)15(5)9-10-16-11(3)4/h11-13H,6-10,14H2,1-5H3
InChIKeyDUUWJWNQYPIGGG-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.25
Rot. Bonds9

About 3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine

3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine (PubChem CID 81056050) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine
PubChem CID81056050
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine
SMILESCCCC(N)C(CC)N(C)CCOC(C)C
InChIInChI=1S/C13H30N2O/c1-6-8-12(14)13(7-2)15(5)9-10-16-11(3)4/h11-13H,6-10,14H2,1-5H3
InChIKeyDUUWJWNQYPIGGG-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-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

2-[methyl(2-propan-2-yloxyethyl)amino]pentanehydrazide
CID 83046919
3-N-propan-2-yl-3-N-propylheptane-3,4-diamine
CID 43269503
1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
CID 81055682
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 81058853
2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81067526
N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
CID 76928096
1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81036559
1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81067503
(2R)-2-amino-N-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 81055167
1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81058258
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81058663
1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one
CID 81057198

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine?
The IUPAC name of 3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine (CID 81056050) is 3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine is CCCC(N)C(CC)N(C)CCOC(C)C.
What is the InChIKey of 3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine?
The InChIKey is DUUWJWNQYPIGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-8-12(14)13(7-2)15(5)9-10-16-11(3)4/h11-13H,6-10,14H2,1-5H3.
What are the key properties of 3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine?
3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine is sourced from PubChem (CID 81056050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).