N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine

C12H25NO — CID 170597699

IUPACN-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine
SMILESC=C(CCOCC)NCCC(C)CC
InChIInChI=1S/C12H25NO/c1-5-11(3)7-9-13-12(4)8-10-14-6-2/h11,13H,4-10H2,1-3H3
InChIKeyVNJKLHIYXHTDSL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.95
Rot. Bonds9

About N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine

N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine (PubChem CID 170597699) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound NameN-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine
PubChem CID170597699
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine
SMILESC=C(CCOCC)NCCC(C)CC
InChIInChI=1S/C12H25NO/c1-5-11(3)7-9-13-12(4)8-10-14-6-2/h11,13H,4-10H2,1-3H3
InChIKeyVNJKLHIYXHTDSL-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.95
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

1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea
CID 111337128
1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine
CID 169160448
N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide
CID 106243005
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2-methylbutan-1-amine;molecular hydrogen
CID 156794535
N-methyl-2-(4-methylhexoxy)ethanamine
CID 138736664
3-(2-ethoxyethylamino)-2-methylbutan-2-ol
CID 65337537
4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
CID 163400778
N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178164668
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
4-ethoxy-1-methoxy-2-methylbutane
CID 102175642
1-(2-ethoxyethylamino)propan-2-ol
CID 43393547

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine?
The IUPAC name of N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine (CID 170597699) is N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine.
What is the SMILES notation for N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine?
The canonical SMILES for N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine is C=C(CCOCC)NCCC(C)CC.
What is the InChIKey of N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine?
The InChIKey is VNJKLHIYXHTDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-11(3)7-9-13-12(4)8-10-14-6-2/h11,13H,4-10H2,1-3H3.
What are the key properties of N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine?
N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine is sourced from PubChem (CID 170597699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).