1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine

C11H27N3 — CID 87864817

IUPAC1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine
SMILESCNCCC(CCCN(C)C)N(C)C
InChIInChI=1S/C11H27N3/c1-12-9-8-11(14(4)5)7-6-10-13(2)3/h11-12H,6-10H2,1-5H3
InChIKeyWAMWUEVRNBZZIB-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.87
Rot. Bonds8

About 1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine

1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine (PubChem CID 87864817) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine.

Molecular Properties

Compound Name1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine
PubChem CID87864817
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine
SMILESCNCCC(CCCN(C)C)N(C)C
InChIInChI=1S/C11H27N3/c1-12-9-8-11(14(4)5)7-6-10-13(2)3/h11-12H,6-10H2,1-5H3
InChIKeyWAMWUEVRNBZZIB-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine
CID 90889104
3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine
CID 142275880
4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 58251491
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane
CID 142969237
lithium;hydride;N,N',N'-trimethylethane-1,2-diamine
CID 173063979
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine
CID 160750261

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine?
The IUPAC name of 1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine (CID 87864817) is 1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine.
What is the SMILES notation for 1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine?
The canonical SMILES for 1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine is CNCCC(CCCN(C)C)N(C)C.
What is the InChIKey of 1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine?
The InChIKey is WAMWUEVRNBZZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-12-9-8-11(14(4)5)7-6-10-13(2)3/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine?
1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine has a molecular weight of 201.36 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine is sourced from PubChem (CID 87864817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).