N-[2-(2-methylpentoxy)ethyl]butan-1-amine

C12H27NO — CID 103285806

IUPACN-[2-(2-methylpentoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCC(C)CCC
InChIInChI=1S/C12H27NO/c1-4-6-8-13-9-10-14-11-12(3)7-5-2/h12-13H,4-11H2,1-3H3
InChIKeyZHTHHEWDTQDSOK-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds10

About N-[2-(2-methylpentoxy)ethyl]butan-1-amine

N-[2-(2-methylpentoxy)ethyl]butan-1-amine (PubChem CID 103285806) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-[2-(2-methylpentoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylpentoxy)ethyl]butan-1-amine
PubChem CID103285806
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-[2-(2-methylpentoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCC(C)CCC
InChIInChI=1S/C12H27NO/c1-4-6-8-13-9-10-14-11-12(3)7-5-2/h12-13H,4-11H2,1-3H3
InChIKeyZHTHHEWDTQDSOK-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
CID 103285767
N-ethyl-5-(2-methylpentoxy)pentan-1-amine
CID 103285584
6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
CID 103285710
5-(2-methylpentoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103285585
N-[2-(2-methylpentoxy)ethyl]pentan-3-amine
CID 103285771
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398
2-(2-methylpentoxy)ethanamine
CID 62343431
N-butyl-N'-(4-methylhexyl)ethane-1,2-diamine
CID 138527062

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpentoxy)ethyl]butan-1-amine?
The IUPAC name of N-[2-(2-methylpentoxy)ethyl]butan-1-amine (CID 103285806) is N-[2-(2-methylpentoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(2-methylpentoxy)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(2-methylpentoxy)ethyl]butan-1-amine is CCCCNCCOCC(C)CCC.
What is the InChIKey of N-[2-(2-methylpentoxy)ethyl]butan-1-amine?
The InChIKey is ZHTHHEWDTQDSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-6-8-13-9-10-14-11-12(3)7-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[2-(2-methylpentoxy)ethyl]butan-1-amine?
N-[2-(2-methylpentoxy)ethyl]butan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpentoxy)ethyl]butan-1-amine is sourced from PubChem (CID 103285806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).