2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine

C14H33N3 — CID 145011873

IUPAC2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine
SMILESCCCN(C)C(C)(C)C(C)(C)N(C)CCNC
InChIInChI=1S/C14H33N3/c1-9-11-16(7)13(2,3)14(4,5)17(8)12-10-15-6/h15H,9-12H2,1-8H3
InChIKeyAPVAPCXRRJGGMX-UHFFFAOYSA-N
MW243.44 g/mol
LogP2.04
Rot. Bonds8

About 2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine

2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine (PubChem CID 145011873) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is 2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine
PubChem CID145011873
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Name2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine
SMILESCCCN(C)C(C)(C)C(C)(C)N(C)CCNC
InChIInChI=1S/C14H33N3/c1-9-11-16(7)13(2,3)14(4,5)17(8)12-10-15-6/h15H,9-12H2,1-8H3
InChIKeyAPVAPCXRRJGGMX-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747
N'-iodo-N-methyl-N'-propylethane-1,2-diamine
CID 126702167
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684
N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 63964794
N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 114525574
3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine
CID 143118699
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
N,N'-dimethyl-N'-propylmethanediamine;ethane
CID 142961631
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine?
The IUPAC name of 2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine (CID 145011873) is 2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine.
What is the SMILES notation for 2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine?
The canonical SMILES for 2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine is CCCN(C)C(C)(C)C(C)(C)N(C)CCNC.
What is the InChIKey of 2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine?
The InChIKey is APVAPCXRRJGGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-9-11-16(7)13(2,3)14(4,5)17(8)12-10-15-6/h15H,9-12H2,1-8H3.
What are the key properties of 2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine?
2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine has a molecular weight of 243.44 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine is sourced from PubChem (CID 145011873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).