2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine

C9H22N2 — CID 62418881

IUPAC2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCCC(C)N(C)C(C)CNC
InChIInChI=1S/C9H22N2/c1-6-8(2)11(5)9(3)7-10-4/h8-10H,6-7H2,1-5H3
InChIKeyGQKWQUSTCZPNBZ-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.32
Rot. Bonds5

About 2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine

2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 62418881) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID62418881
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCCC(C)N(C)C(C)CNC
InChIInChI=1S/C9H22N2/c1-6-8(2)11(5)9(3)7-10-4/h8-10H,6-7H2,1-5H3
InChIKeyGQKWQUSTCZPNBZ-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine (CID 62418881) is 2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine is CCC(C)N(C)C(C)CNC.
What is the InChIKey of 2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is GQKWQUSTCZPNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-6-8(2)11(5)9(3)7-10-4/h8-10H,6-7H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine?
2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62418881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).