1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine

C9H22N2 — CID 57251767

IUPAC1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)N(C)C
InChIInChI=1S/C9H22N2/c1-6-11(7-2)8-9(3)10(4)5/h9H,6-8H2,1-5H3
InChIKeyNUXMZSCPBRLVHI-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.28
Rot. Bonds5

About 1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine

1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 57251767) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID57251767
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)N(C)C
InChIInChI=1S/C9H22N2/c1-6-11(7-2)8-9(3)10(4)5/h9H,6-8H2,1-5H3
InChIKeyNUXMZSCPBRLVHI-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine (CID 57251767) is 1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine is CCN(CC)CC(C)N(C)C.
What is the InChIKey of 1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is NUXMZSCPBRLVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-6-11(7-2)8-9(3)10(4)5/h9H,6-8H2,1-5H3.
What are the key properties of 1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine?
1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 57251767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).