1-ethoxypentan-2-amine

C7H17NO — CID 62042543

IUPAC1-ethoxypentan-2-amine
SMILESCCCC(N)COCC
InChIInChI=1S/C7H17NO/c1-3-5-7(8)6-9-4-2/h7H,3-6,8H2,1-2H3
InChIKeyZFAGKVSENLSINU-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.15
Rot. Bonds5

About 1-ethoxypentan-2-amine

1-ethoxypentan-2-amine (PubChem CID 62042543) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-ethoxypentan-2-amine.

Molecular Properties

Compound Name1-ethoxypentan-2-amine
PubChem CID62042543
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-ethoxypentan-2-amine
SMILESCCCC(N)COCC
InChIInChI=1S/C7H17NO/c1-3-5-7(8)6-9-4-2/h7H,3-6,8H2,1-2H3
InChIKeyZFAGKVSENLSINU-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-6-methylheptan-2-amine
CID 83162335
1-heptoxypentan-2-amine
CID 62044754
1-ethoxy-4-(2-methoxyethoxy)butan-2-amine
CID 102927951
1-ethoxy-3-methylhexan-2-amine
CID 105007979
3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine
CID 79570499
4-ethoxy-1-methoxybutan-2-amine
CID 115601761
azane;heptan-4-amine
CID 118430725
bis(2-aminopentoxy)-oxophosphanium
CID 88666943
1-ethoxypentan-2-ol
CID 21201051
1-(4-methylcyclohexyl)oxypentan-2-amine
CID 62041477
ethyl 2-(ethoxymethyl)pentanoate
CID 140987301
(3S)-1-(2,2-difluoroethoxy)hexan-3-amine
CID 103151205

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypentan-2-amine?
The IUPAC name of 1-ethoxypentan-2-amine (CID 62042543) is 1-ethoxypentan-2-amine.
What is the SMILES notation for 1-ethoxypentan-2-amine?
The canonical SMILES for 1-ethoxypentan-2-amine is CCCC(N)COCC.
What is the InChIKey of 1-ethoxypentan-2-amine?
The InChIKey is ZFAGKVSENLSINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-5-7(8)6-9-4-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-ethoxypentan-2-amine?
1-ethoxypentan-2-amine has a molecular weight of 131.22 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypentan-2-amine is sourced from PubChem (CID 62042543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).