1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine

C14H32N2 — CID 15769079

IUPAC1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)NCC(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H32N2/c1-12(2,3)11(16-14(7,8)9)10-15-13(4,5)6/h11,15-16H,10H2,1-9H3
InChIKeyKMZYAKIMZLVSST-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.18
Rot. Bonds3

About 1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine

1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine (PubChem CID 15769079) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine
PubChem CID15769079
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)NCC(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H32N2/c1-12(2,3)11(16-14(7,8)9)10-15-13(4,5)6/h11,15-16H,10H2,1-9H3
InChIKeyKMZYAKIMZLVSST-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine (CID 15769079) is 1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine is CC(C)(C)NCC(NC(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine?
The InChIKey is KMZYAKIMZLVSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-12(2,3)11(16-14(7,8)9)10-15-13(4,5)6/h11,15-16H,10H2,1-9H3.
What are the key properties of 1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine?
1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-ditert-butyl-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 15769079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).