N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine

C15H35N3 — CID 63699673

IUPACN-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C15H35N3/c1-14(2,3)16-12-15(4,5)13-18(8)11-9-10-17(6)7/h16H,9-13H2,1-8H3
InChIKeyXIQOBYHLQNLABX-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.28
Rot. Bonds8

About N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine

N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 63699673) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID63699673
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC NameN-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C15H35N3/c1-14(2,3)16-12-15(4,5)13-18(8)11-9-10-17(6)7/h16H,9-13H2,1-8H3
InChIKeyXIQOBYHLQNLABX-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine (CID 63699673) is N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine is CN(C)CCCN(C)CC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is XIQOBYHLQNLABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-14(2,3)16-12-15(4,5)13-18(8)11-9-10-17(6)7/h16H,9-13H2,1-8H3.
What are the key properties of N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine?
N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63699673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).