2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine

C11H21NO — CID 167260452

IUPAC2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine
SMILESC=C(C)NC(CCC)C(=C)OCC
InChIInChI=1S/C11H21NO/c1-6-8-11(12-9(3)4)10(5)13-7-2/h11-12H,3,5-8H2,1-2,4H3
InChIKeyHRQAATCABOSQEX-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.83
Rot. Bonds7

About 2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine

2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine (PubChem CID 167260452) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine
PubChem CID167260452
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine
SMILESC=C(C)NC(CCC)C(=C)OCC
InChIInChI=1S/C11H21NO/c1-6-8-11(12-9(3)4)10(5)13-7-2/h11-12H,3,5-8H2,1-2,4H3
InChIKeyHRQAATCABOSQEX-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-cyclopropyl-2-oxo-3-(prop-1-en-2-ylamino)hexanamide
CID 66813998
ethyl 2-(phosphanylamino)pentanoate
CID 59113606
ethyl 2-[(2-chloroacetyl)amino]pentanoate
CID 176548507
ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate
CID 59838569
ethyl 2-(propylamino)pentanoate
CID 21021838
N-prop-1-en-2-ylnonan-5-amine
CID 166689261
methyl N-(2-methyl-3-oxohept-1-en-4-yl)carbamate
CID 163422911
(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
CID 107566284
methyl (2S,3R)-3-prop-1-en-2-yl-2-propylhexanoate
CID 10751049
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
ethyl 2-acetamido-4-bromopent-4-enoate
CID 11086621
ethyl 2-(3-methylbut-2-enylamino)pentanoate
CID 103520467

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine?
The IUPAC name of 2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine (CID 167260452) is 2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine.
What is the SMILES notation for 2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine?
The canonical SMILES for 2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine is C=C(C)NC(CCC)C(=C)OCC.
What is the InChIKey of 2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine?
The InChIKey is HRQAATCABOSQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-8-11(12-9(3)4)10(5)13-7-2/h11-12H,3,5-8H2,1-2,4H3.
What are the key properties of 2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine?
2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine has a molecular weight of 183.29 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-prop-1-en-2-ylhex-1-en-3-amine is sourced from PubChem (CID 167260452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).