N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine

C12H29N3 — CID 65247113

IUPACN'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(C)CCCN(C)CCC(C)(C)CN
InChIInChI=1S/C12H29N3/c1-12(2,11-13)7-10-15(5)9-6-8-14(3)4/h6-11,13H2,1-5H3
InChIKeyQXEMBBVRRJGMMT-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.24
Rot. Bonds8

About N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine

N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine (PubChem CID 65247113) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
PubChem CID65247113
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(C)CCCN(C)CCC(C)(C)CN
InChIInChI=1S/C12H29N3/c1-12(2,11-13)7-10-15(5)9-6-8-14(3)4/h6-11,13H2,1-5H3
InChIKeyQXEMBBVRRJGMMT-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
N',2,2-trimethyl-N'-propylbutane-1,4-diamine
CID 65246982
N'-ethyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246754
N',2,2-trimethyl-N'-propylpentane-1,5-diamine
CID 65254018
N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane
CID 142493951
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418
2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol
CID 114243028
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol
CID 106708171
N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 65247053
1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
CID 106708066

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine (CID 65247113) is N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine is CN(C)CCCN(C)CCC(C)(C)CN.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine?
The InChIKey is QXEMBBVRRJGMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-12(2,11-13)7-10-15(5)9-6-8-14(3)4/h6-11,13H2,1-5H3.
What are the key properties of N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine?
N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 65247113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).