N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

C14H32N2 — CID 102905428

IUPACN',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCC(C(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-7-16(8-2)10-9-15-11-14(12(3)4)13(5)6/h12-15H,7-11H2,1-6H3
InChIKeyXFNDSDFVLUGTPU-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.85
Rot. Bonds9

About N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (PubChem CID 102905428) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
PubChem CID102905428
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCC(C(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-7-16(8-2)10-9-15-11-14(12(3)4)13(5)6/h12-15H,7-11H2,1-6H3
InChIKeyXFNDSDFVLUGTPU-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441031
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 55089958
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542
1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60632995
N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905569
N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997904
N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
CID 102905484
N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
CID 55089810
N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine
CID 54803489
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (CID 102905428) is N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is CCN(CC)CCNCC(C(C)C)C(C)C.
What is the InChIKey of N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The InChIKey is XFNDSDFVLUGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-16(8-2)10-9-15-11-14(12(3)4)13(5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 102905428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).