N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane

C17H41N3 — CID 142493951

IUPACN'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane
SMILESCCC.CNCC(C)(C)CCN(C)CCC(C)(C)CN
InChIInChI=1S/C14H33N3.C3H8/c1-13(2,11-15)7-9-17(6)10-8-14(3,4)12-16-5;1-3-2/h16H,7-12,15H2,1-6H3;3H2,1-2H3
InChIKeyKQCLUIDIQLWKIL-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.35
Rot. Bonds9

About N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane

N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane (PubChem CID 142493951) has the molecular formula C17H41N3 and a molecular weight of 287.54 g/mol. Its IUPAC name is N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane.

Molecular Properties

Compound NameN'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane
PubChem CID142493951
Molecular FormulaC17H41N3
Molecular Weight287.54 g/mol
Exact Mass287.33
IUPAC NameN'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane
SMILESCCC.CNCC(C)(C)CCN(C)CCC(C)(C)CN
InChIInChI=1S/C14H33N3.C3H8/c1-13(2,11-15)7-9-17(6)10-8-14(3,4)12-16-5;1-3-2/h16H,7-12,15H2,1-6H3;3H2,1-2H3
InChIKeyKQCLUIDIQLWKIL-UHFFFAOYSA-N
XLogP3.35
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',2,2-trimethyl-N'-propylbutane-1,4-diamine
CID 65246982
N'-ethyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246754
N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247113
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
N',2,2-trimethyl-N'-propylpentane-1,5-diamine
CID 65254018
N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652389
N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine
CID 146334947
2-[(4-amino-3,3-dimethylbutyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 65247152
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463
N-[2-(dimethylamino)ethyl]-N,N',2,2-tetramethylpropane-1,3-diamine
CID 63699483
N'-cyclopropyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246811
3-hydrazinyl-2,2-dimethylpropan-1-amine
CID 163833344

Frequently Asked Questions

What is the IUPAC name of N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane?
The IUPAC name of N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane (CID 142493951) is N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane.
What is the SMILES notation for N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane?
The canonical SMILES for N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane is CCC.CNCC(C)(C)CCN(C)CCC(C)(C)CN.
What is the InChIKey of N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane?
The InChIKey is KQCLUIDIQLWKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3.C3H8/c1-13(2,11-15)7-9-17(6)10-8-14(3,4)12-16-5;1-3-2/h16H,7-12,15H2,1-6H3;3H2,1-2H3.
What are the key properties of N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane?
N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane has a molecular weight of 287.54 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane is sourced from PubChem (CID 142493951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).