N-ethyl-N,7-dimethyloctan-2-amine

C12H27N — CID 123377571

IUPACN-ethyl-N,7-dimethyloctan-2-amine
SMILESCCN(C)C(C)CCCCC(C)C
InChIInChI=1S/C12H27N/c1-6-13(5)12(4)10-8-7-9-11(2)3/h11-12H,6-10H2,1-5H3
InChIKeyQAODHWZUEMNOQC-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds7

About N-ethyl-N,7-dimethyloctan-2-amine

N-ethyl-N,7-dimethyloctan-2-amine (PubChem CID 123377571) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-ethyl-N,7-dimethyloctan-2-amine.

Molecular Properties

Compound NameN-ethyl-N,7-dimethyloctan-2-amine
PubChem CID123377571
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-ethyl-N,7-dimethyloctan-2-amine
SMILESCCN(C)C(C)CCCCC(C)C
InChIInChI=1S/C12H27N/c1-6-13(5)12(4)10-8-7-9-11(2)3/h11-12H,6-10H2,1-5H3
InChIKeyQAODHWZUEMNOQC-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
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

ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
CID 156821582
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 143518615
N-ethyl-N,5-dimethylheptan-2-amine
CID 91289323
4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
CID 62462204
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
3-[ethyl(methyl)amino]-4-[methyl(5-methylhexyl)amino]cyclobut-3-ene-1,2-dithione
CID 156727893
tris(2,7-dimethyloctane);ethane;methane
CID 159869544

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,7-dimethyloctan-2-amine?
The IUPAC name of N-ethyl-N,7-dimethyloctan-2-amine (CID 123377571) is N-ethyl-N,7-dimethyloctan-2-amine.
What is the SMILES notation for N-ethyl-N,7-dimethyloctan-2-amine?
The canonical SMILES for N-ethyl-N,7-dimethyloctan-2-amine is CCN(C)C(C)CCCCC(C)C.
What is the InChIKey of N-ethyl-N,7-dimethyloctan-2-amine?
The InChIKey is QAODHWZUEMNOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-13(5)12(4)10-8-7-9-11(2)3/h11-12H,6-10H2,1-5H3.
What are the key properties of N-ethyl-N,7-dimethyloctan-2-amine?
N-ethyl-N,7-dimethyloctan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,7-dimethyloctan-2-amine is sourced from PubChem (CID 123377571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).