N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine

C12H27NO — CID 62455882

IUPACN-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine
SMILESCCNCCCC(C)OC(C)(C)CC
InChIInChI=1S/C12H27NO/c1-6-12(4,5)14-11(3)9-8-10-13-7-2/h11,13H,6-10H2,1-5H3
InChIKeyLJWQIJPCZBFUCF-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds8

About N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine

N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine (PubChem CID 62455882) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine
PubChem CID62455882
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine
SMILESCCNCCCC(C)OC(C)(C)CC
InChIInChI=1S/C12H27NO/c1-6-12(4,5)14-11(3)9-8-10-13-7-2/h11,13H,6-10H2,1-5H3
InChIKeyLJWQIJPCZBFUCF-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-4-(2-methylbutan-2-yloxy)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-ethyl-4-prop-2-enoxypentan-1-amine
CID 62442488
N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
2-methyl-2-[3-(2-methylbutan-2-yloxy)butan-2-yloxy]butane
CID 155274945
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
(5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine
CID 166714486
N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
CID 107815747
4-(cyclohexylmethoxy)-N-ethylpentan-1-amine
CID 62485288
N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406214
1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423009
N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen
CID 142254763
N-tert-butyl-4-methoxypentan-1-amine
CID 62444088

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine?
The IUPAC name of N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine (CID 62455882) is N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine?
The canonical SMILES for N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine is CCNCCCC(C)OC(C)(C)CC.
What is the InChIKey of N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine?
The InChIKey is LJWQIJPCZBFUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-12(4,5)14-11(3)9-8-10-13-7-2/h11,13H,6-10H2,1-5H3.
What are the key properties of N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine?
N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylbutan-2-yloxy)pentan-1-amine is sourced from PubChem (CID 62455882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).