2-ethyl-2,3-dimethyl-N-propylhexan-1-amine

C13H29N — CID 107897400

IUPAC2-ethyl-2,3-dimethyl-N-propylhexan-1-amine
SMILESCCCNCC(C)(CC)C(C)CCC
InChIInChI=1S/C13H29N/c1-6-9-12(4)13(5,8-3)11-14-10-7-2/h12,14H,6-11H2,1-5H3
InChIKeyAEAJBBFFIDKZMX-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds8

About 2-ethyl-2,3-dimethyl-N-propylhexan-1-amine

2-ethyl-2,3-dimethyl-N-propylhexan-1-amine (PubChem CID 107897400) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2-ethyl-2,3-dimethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2,3-dimethyl-N-propylhexan-1-amine
PubChem CID107897400
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2-ethyl-2,3-dimethyl-N-propylhexan-1-amine
SMILESCCCNCC(C)(CC)C(C)CCC
InChIInChI=1S/C13H29N/c1-6-9-12(4)13(5,8-3)11-14-10-7-2/h12,14H,6-11H2,1-5H3
InChIKeyAEAJBBFFIDKZMX-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine
CID 83159399
2-methyl-2-propan-2-yl-N-propyloctan-1-amine
CID 83159495
6-ethyl-2,6,7-trimethyldecane
CID 123269799
2,2-dimethyl-N-propylpropan-1-amine
CID 551573
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
4,5-dimethyl-5-propylnonane;ethane
CID 144518109
2,2-diethyl-4-methyl-N-propylpentan-1-amine
CID 62724440
2-methyl-1-(propylamino)propane-2-thiol
CID 118074642
2,2,4-trimethyl-N-propylhexan-1-amine
CID 62724538
2,2,5-trimethyl-N-propylhexane-1,6-diamine
CID 19427160
2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine
CID 62353421
N-ethylpropan-1-amine;2-methylpentane
CID 171506483

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dimethyl-N-propylhexan-1-amine?
The IUPAC name of 2-ethyl-2,3-dimethyl-N-propylhexan-1-amine (CID 107897400) is 2-ethyl-2,3-dimethyl-N-propylhexan-1-amine.
What is the SMILES notation for 2-ethyl-2,3-dimethyl-N-propylhexan-1-amine?
The canonical SMILES for 2-ethyl-2,3-dimethyl-N-propylhexan-1-amine is CCCNCC(C)(CC)C(C)CCC.
What is the InChIKey of 2-ethyl-2,3-dimethyl-N-propylhexan-1-amine?
The InChIKey is AEAJBBFFIDKZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-9-12(4)13(5,8-3)11-14-10-7-2/h12,14H,6-11H2,1-5H3.
What are the key properties of 2-ethyl-2,3-dimethyl-N-propylhexan-1-amine?
2-ethyl-2,3-dimethyl-N-propylhexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dimethyl-N-propylhexan-1-amine is sourced from PubChem (CID 107897400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).