N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine

C15H34N2 — CID 55056500

IUPACN,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCCNCC(CC)(CC)CN(C)CCC(C)C
InChIInChI=1S/C15H34N2/c1-7-15(8-2,12-16-9-3)13-17(6)11-10-14(4)5/h14,16H,7-13H2,1-6H3
InChIKeyOVVLDZJHJDNMJG-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.38
Rot. Bonds10

About N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine

N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine (PubChem CID 55056500) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine
PubChem CID55056500
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCCNCC(CC)(CC)CN(C)CCC(C)C
InChIInChI=1S/C15H34N2/c1-7-15(8-2,12-16-9-3)13-17(6)11-10-14(4)5/h14,16H,7-13H2,1-6H3
InChIKeyOVVLDZJHJDNMJG-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N'-[3-[3-(2-ethylbutylamino)propylamino]propyl]propane-1,3-diamine
CID 16047516
N-[3-(ethylamino)propyl]-N'-[3-(2-ethylbutylamino)propyl]butane-1,4-diamine
CID 16047769
12-Bis(ethyl)spermine
CID 129652912
2-Bis(ethyl)spermine
CID 129712212
12-Diisopropylspermine
CID 129712238
N,2,2-triethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 55051398
N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256039
N,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256397
N,N',2,2-tetraethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256557
N,2,2-triethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256558
2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62258085
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62258432

Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine?
The IUPAC name of N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine (CID 55056500) is N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine?
The canonical SMILES for N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine is CCNCC(CC)(CC)CN(C)CCC(C)C.
What is the InChIKey of N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine?
The InChIKey is OVVLDZJHJDNMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-15(8-2,12-16-9-3)13-17(6)11-10-14(4)5/h14,16H,7-13H2,1-6H3.
What are the key properties of N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine?
N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 55056500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).