(3R)-3-ethylnonan-1-amine

C11H25N — CID 163925868

IUPAC(3R)-3-ethylnonan-1-amine
SMILESCCCCCC[C@@H](CC)CCN
InChIInChI=1S/C11H25N/c1-3-5-6-7-8-11(4-2)9-10-12/h11H,3-10,12H2,1-2H3/t11-/m1/s1
InChIKeyREKRHMMFKSWLBG-LLVKDONJSA-N
MW171.33 g/mol
LogP3.33
Rot. Bonds8

About (3R)-3-ethylnonan-1-amine

(3R)-3-ethylnonan-1-amine (PubChem CID 163925868) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is (3R)-3-ethylnonan-1-amine.

Molecular Properties

Compound Name(3R)-3-ethylnonan-1-amine
PubChem CID163925868
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name(3R)-3-ethylnonan-1-amine
SMILESCCCCCC[C@@H](CC)CCN
InChIInChI=1S/C11H25N/c1-3-5-6-7-8-11(4-2)9-10-12/h11H,3-10,12H2,1-2H3/t11-/m1/s1
InChIKeyREKRHMMFKSWLBG-LLVKDONJSA-N
XLogP3.33
TPSA26.02 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 ≤ 53.33
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

3-octadecyldocosan-1-amine
CID 175605892
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
7-ethyltridecane;methane
CID 158982306
3-ethyl-N'-octylhexane-1,6-diamine
CID 113337396
4-ethylnonadecane
CID 22223766
4-ethylhexadecane
CID 528433
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
5-hexyldodecan-1-amine
CID 129015386

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethylnonan-1-amine?
The IUPAC name of (3R)-3-ethylnonan-1-amine (CID 163925868) is (3R)-3-ethylnonan-1-amine.
What is the SMILES notation for (3R)-3-ethylnonan-1-amine?
The canonical SMILES for (3R)-3-ethylnonan-1-amine is CCCCCC[C@@H](CC)CCN.
What is the InChIKey of (3R)-3-ethylnonan-1-amine?
The InChIKey is REKRHMMFKSWLBG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H25N/c1-3-5-6-7-8-11(4-2)9-10-12/h11H,3-10,12H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-ethylnonan-1-amine?
(3R)-3-ethylnonan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethylnonan-1-amine is sourced from PubChem (CID 163925868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).