N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine

C14H31N3 — CID 170629603

IUPACN'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CC(C)(CCN(C)C)C1
InChIInChI=1S/C14H31N3/c1-14(7-8-15(2)3)11-13(12-14)17(6)10-9-16(4)5/h13H,7-12H2,1-6H3
InChIKeyDTOSYIGRRRCWHN-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.60
Rot. Bonds7

About N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 170629603) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID170629603
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CC(C)(CCN(C)C)C1
InChIInChI=1S/C14H31N3/c1-14(7-8-15(2)3)11-13(12-14)17(6)10-9-16(4)5/h13H,7-12H2,1-6H3
InChIKeyDTOSYIGRRRCWHN-UHFFFAOYSA-N
XLogP1.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine (CID 170629603) is N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1CC(C)(CCN(C)C)C1.
What is the InChIKey of N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is DTOSYIGRRRCWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-14(7-8-15(2)3)11-13(12-14)17(6)10-9-16(4)5/h13H,7-12H2,1-6H3.
What are the key properties of N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-(dimethylamino)ethyl]-3-methylcyclobutyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 170629603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).