N-ethyl-N,3-dimethylheptan-3-amine

C11H25N — CID 123202757

IUPACN-ethyl-N,3-dimethylheptan-3-amine
SMILESCCCCC(C)(CC)N(C)CC
InChIInChI=1S/C11H25N/c1-6-9-10-11(4,7-2)12(5)8-3/h6-10H2,1-5H3
InChIKeyKIAAWAYRPLFJGF-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.30
Rot. Bonds6

About N-ethyl-N,3-dimethylheptan-3-amine

N-ethyl-N,3-dimethylheptan-3-amine (PubChem CID 123202757) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-ethyl-N,3-dimethylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-N,3-dimethylheptan-3-amine
PubChem CID123202757
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-ethyl-N,3-dimethylheptan-3-amine
SMILESCCCCC(C)(CC)N(C)CC
InChIInChI=1S/C11H25N/c1-6-9-10-11(4,7-2)12(5)8-3/h6-10H2,1-5H3
InChIKeyKIAAWAYRPLFJGF-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N,2-dimethylhexan-2-amine
CID 87916195
N-ethyl-N,3,5-trimethylheptan-3-amine
CID 155392706
3-methyl-3-[3-methylheptan-3-yl(sulfino)amino]heptane
CID 91184478
1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldecane-1,1,1-triamine
CID 151530221
ethane;N-ethyl-5-fluoro-N,3-dimethylhexan-3-amine
CID 176976752
2,2-dimethylhexane
CID 169424592
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine
CID 166856745
N-but-3-enyl-N,7-dimethyltetradecan-7-amine
CID 167034642
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3-dimethylheptan-3-amine?
The IUPAC name of N-ethyl-N,3-dimethylheptan-3-amine (CID 123202757) is N-ethyl-N,3-dimethylheptan-3-amine.
What is the SMILES notation for N-ethyl-N,3-dimethylheptan-3-amine?
The canonical SMILES for N-ethyl-N,3-dimethylheptan-3-amine is CCCCC(C)(CC)N(C)CC.
What is the InChIKey of N-ethyl-N,3-dimethylheptan-3-amine?
The InChIKey is KIAAWAYRPLFJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-9-10-11(4,7-2)12(5)8-3/h6-10H2,1-5H3.
What are the key properties of N-ethyl-N,3-dimethylheptan-3-amine?
N-ethyl-N,3-dimethylheptan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3-dimethylheptan-3-amine is sourced from PubChem (CID 123202757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).