N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine

C15H35N3 — CID 55056372

IUPACN-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine
SMILESCCNCC(C)(C)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C15H35N3/c1-8-16-12-15(4,5)13-18(11-14(2)3)10-9-17(6)7/h14,16H,8-13H2,1-7H3
InChIKeyKYXMAOKATQPPTE-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.14
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine

N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine (PubChem CID 55056372) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine
PubChem CID55056372
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine
SMILESCCNCC(C)(C)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C15H35N3/c1-8-16-12-15(4,5)13-18(11-14(2)3)10-9-17(6)7/h14,16H,8-13H2,1-7H3
InChIKeyKYXMAOKATQPPTE-UHFFFAOYSA-N
XLogP2.14
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 62257607
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 62271300
2-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-2-ethylbutanal
CID 62275835
1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol
CID 55011512
N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide
CID 126636089
methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79620913
1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
CID 64818666
N-(2-ethoxyethyl)-N,N'-diethyl-2,2-dimethylpropane-1,3-diamine
CID 63692665
N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 65247053
N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62255885
N'-[2-(dimethylamino)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28572535
N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55056500

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine (CID 55056372) is N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine is CCNCC(C)(C)CN(CCN(C)C)CC(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is KYXMAOKATQPPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-8-16-12-15(4,5)13-18(11-14(2)3)10-9-17(6)7/h14,16H,8-13H2,1-7H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine?
N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 55056372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).