5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine

C11H25NO — CID 103779817

IUPAC5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine
SMILESCOCCCCCNC(C)C(C)C
InChIInChI=1S/C11H25NO/c1-10(2)11(3)12-8-6-5-7-9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyXHDWRVREUZTOBE-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds8

About 5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine

5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine (PubChem CID 103779817) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine
PubChem CID103779817
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine
SMILESCOCCCCCNC(C)C(C)C
InChIInChI=1S/C11H25NO/c1-10(2)11(3)12-8-6-5-7-9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyXHDWRVREUZTOBE-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-3-methylbutan-2-amine
CID 43205074
(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol
CID 97307244
N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine
CID 115709397
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
N-(3-methoxypropyl)-3-methylpentan-2-amine
CID 43205167
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
3-ethyl-N-(3-methoxypropyl)pentan-2-amine
CID 63838999
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
N-(5-methoxypentyl)hex-5-en-2-amine
CID 104582118
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
3-(5-methoxypentylamino)-N-methylbutanamide
CID 115714834

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine?
The IUPAC name of 5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine (CID 103779817) is 5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine.
What is the SMILES notation for 5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine?
The canonical SMILES for 5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine is COCCCCCNC(C)C(C)C.
What is the InChIKey of 5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine?
The InChIKey is XHDWRVREUZTOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2)11(3)12-8-6-5-7-9-13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine?
5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine is sourced from PubChem (CID 103779817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).