N',2-ditert-butylpropane-1,3-diamine

C11H26N2 — CID 139363560

IUPACN',2-ditert-butylpropane-1,3-diamine
SMILESCC(C)(C)NCC(CN)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(2,3)9(7-12)8-13-11(4,5)6/h9,13H,7-8,12H2,1-6H3
InChIKeyWVVBWDDFJIPCPT-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.00
Rot. Bonds3

About N',2-ditert-butylpropane-1,3-diamine

N',2-ditert-butylpropane-1,3-diamine (PubChem CID 139363560) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N',2-ditert-butylpropane-1,3-diamine.

Molecular Properties

Compound NameN',2-ditert-butylpropane-1,3-diamine
PubChem CID139363560
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN',2-ditert-butylpropane-1,3-diamine
SMILESCC(C)(C)NCC(CN)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(2,3)9(7-12)8-13-11(4,5)6/h9,13H,7-8,12H2,1-6H3
InChIKeyWVVBWDDFJIPCPT-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',2-ditert-butylpropane-1,3-diamine?
The IUPAC name of N',2-ditert-butylpropane-1,3-diamine (CID 139363560) is N',2-ditert-butylpropane-1,3-diamine.
What is the SMILES notation for N',2-ditert-butylpropane-1,3-diamine?
The canonical SMILES for N',2-ditert-butylpropane-1,3-diamine is CC(C)(C)NCC(CN)C(C)(C)C.
What is the InChIKey of N',2-ditert-butylpropane-1,3-diamine?
The InChIKey is WVVBWDDFJIPCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(2,3)9(7-12)8-13-11(4,5)6/h9,13H,7-8,12H2,1-6H3.
What are the key properties of N',2-ditert-butylpropane-1,3-diamine?
N',2-ditert-butylpropane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-ditert-butylpropane-1,3-diamine is sourced from PubChem (CID 139363560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).