1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine

C12H28N2O — CID 106451802

IUPAC1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine
SMILESCCCOCCNC(CN(C)C)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-8-15-9-7-13-12(11(2)3)10-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyKMLVZEPYCPEZBB-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds9

About 1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine (PubChem CID 106451802) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine
PubChem CID106451802
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine
SMILESCCCOCCNC(CN(C)C)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-8-15-9-7-13-12(11(2)3)10-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyKMLVZEPYCPEZBB-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N-dimethyl-2-N-(2-propoxyethyl)propane-1,2-diamine
CID 106452397
2-methyl-N-(2-propoxyethyl)pentan-3-amine
CID 106451788
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-chloro-4-methylpentan-3-amine
CID 106353840
1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 81058530
2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476883
N-(2-propoxyethyl)pent-4-yn-2-amine
CID 106452525
1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989627
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile
CID 61480297
1-chloro-N-(2-ethoxyethyl)-3-methylbutan-2-amine
CID 79244933
(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
CID 79250143
N,N-dimethyl-4-propoxybutan-2-amine
CID 57318185

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine (CID 106451802) is 1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine is CCCOCCNC(CN(C)C)C(C)C.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine?
The InChIKey is KMLVZEPYCPEZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-8-15-9-7-13-12(11(2)3)10-14(4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-(2-propoxyethyl)butane-1,2-diamine is sourced from PubChem (CID 106451802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).