N-ethylnonan-3-amine

C11H25N — CID 60996683

IUPACN-ethylnonan-3-amine
SMILESCCCCCCC(CC)NCC
InChIInChI=1S/C11H25N/c1-4-7-8-9-10-11(5-2)12-6-3/h11-12H,4-10H2,1-3H3
InChIKeyHIICOVGTOLJGOK-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.34
Rot. Bonds8

About N-ethylnonan-3-amine

N-ethylnonan-3-amine (PubChem CID 60996683) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-ethylnonan-3-amine.

Molecular Properties

Compound NameN-ethylnonan-3-amine
PubChem CID60996683
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-ethylnonan-3-amine
SMILESCCCCCCC(CC)NCC
InChIInChI=1S/C11H25N/c1-4-7-8-9-10-11(5-2)12-6-3/h11-12H,4-10H2,1-3H3
InChIKeyHIICOVGTOLJGOK-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.34
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

N-ethyldecan-3-amine;dihydrochloride
CID 175708733
N-ethyltetradecan-7-amine
CID 87847195
N-ethylhexadecan-4-amine
CID 63413885
N-ethyldecan-5-amine
CID 79405026
N-tridecylpentadecan-3-amine
CID 88820168
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
N-ethyl-2-methyldodecan-4-amine
CID 63412709
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
N,5-diethylpentadecan-7-amine
CID 115806799
2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
CID 79092822
N-ethyl-2,2-dimethylhexadecan-4-amine
CID 63891733

Frequently Asked Questions

What is the IUPAC name of N-ethylnonan-3-amine?
The IUPAC name of N-ethylnonan-3-amine (CID 60996683) is N-ethylnonan-3-amine.
What is the SMILES notation for N-ethylnonan-3-amine?
The canonical SMILES for N-ethylnonan-3-amine is CCCCCCC(CC)NCC.
What is the InChIKey of N-ethylnonan-3-amine?
The InChIKey is HIICOVGTOLJGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-4-7-8-9-10-11(5-2)12-6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-ethylnonan-3-amine?
N-ethylnonan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylnonan-3-amine is sourced from PubChem (CID 60996683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).