N,N-diethyl-4,4-dimethyldecan-1-amine

C16H35N — CID 129028023

IUPACN,N-diethyl-4,4-dimethyldecan-1-amine
SMILESCCCCCCC(C)(C)CCCN(CC)CC
InChIInChI=1S/C16H35N/c1-6-9-10-11-13-16(4,5)14-12-15-17(7-2)8-3/h6-15H2,1-5H3
InChIKeySYHMVBUEAWXTEH-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.11
Rot. Bonds11

About N,N-diethyl-4,4-dimethyldecan-1-amine

N,N-diethyl-4,4-dimethyldecan-1-amine (PubChem CID 129028023) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N,N-diethyl-4,4-dimethyldecan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4,4-dimethyldecan-1-amine
PubChem CID129028023
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN,N-diethyl-4,4-dimethyldecan-1-amine
SMILESCCCCCCC(C)(C)CCCN(CC)CC
InChIInChI=1S/C16H35N/c1-6-9-10-11-13-16(4,5)14-12-15-17(7-2)8-3/h6-15H2,1-5H3
InChIKeySYHMVBUEAWXTEH-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

16,16,21,21-tetramethylhexatriacontane
CID 174880889
N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65296059
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
1-bromo-2,2-dimethyldecane
CID 66048838
4,4-dimethyltridecan-1-amine
CID 172686024
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
3,3-dimethyloctane;ethane
CID 145013248
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
3,3-dimethylpentadecan-1-amine
CID 81014127
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
5-(diethylamino)-2-methylpentan-2-ol
CID 14530143

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,4-dimethyldecan-1-amine?
The IUPAC name of N,N-diethyl-4,4-dimethyldecan-1-amine (CID 129028023) is N,N-diethyl-4,4-dimethyldecan-1-amine.
What is the SMILES notation for N,N-diethyl-4,4-dimethyldecan-1-amine?
The canonical SMILES for N,N-diethyl-4,4-dimethyldecan-1-amine is CCCCCCC(C)(C)CCCN(CC)CC.
What is the InChIKey of N,N-diethyl-4,4-dimethyldecan-1-amine?
The InChIKey is SYHMVBUEAWXTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-6-9-10-11-13-16(4,5)14-12-15-17(7-2)8-3/h6-15H2,1-5H3.
What are the key properties of N,N-diethyl-4,4-dimethyldecan-1-amine?
N,N-diethyl-4,4-dimethyldecan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,4-dimethyldecan-1-amine is sourced from PubChem (CID 129028023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).