1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine

C14H30N2O — CID 79928044

IUPAC1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
SMILESCC(CCN(C)C)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H30N2O/c1-11(8-9-16(6)7)15-12-10-13(2,3)17-14(12,4)5/h11-12,15H,8-10H2,1-7H3
InChIKeyKLIFDMFCMQXXIO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.26
Rot. Bonds5

About 1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine

1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine (PubChem CID 79928044) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
PubChem CID79928044
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
SMILESCC(CCN(C)C)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H30N2O/c1-11(8-9-16(6)7)15-12-10-13(2,3)17-14(12,4)5/h11-12,15H,8-10H2,1-7H3
InChIKeyKLIFDMFCMQXXIO-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine (CID 79928044) is 1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine is CC(CCN(C)C)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine?
The InChIKey is KLIFDMFCMQXXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(8-9-16(6)7)15-12-10-13(2,3)17-14(12,4)5/h11-12,15H,8-10H2,1-7H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine is sourced from PubChem (CID 79928044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).