3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine

C12H25NO — CID 134421720

IUPAC3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine
SMILESC=C(NCC(C)C)C(CCC)OCC
InChIInChI=1S/C12H25NO/c1-6-8-12(14-7-2)11(5)13-9-10(3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyHKOZURGJERRHND-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.95
Rot. Bonds8

About 3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine

3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine (PubChem CID 134421720) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine
PubChem CID134421720
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine
SMILESC=C(NCC(C)C)C(CCC)OCC
InChIInChI=1S/C12H25NO/c1-6-8-12(14-7-2)11(5)13-9-10(3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyHKOZURGJERRHND-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

4-ethoxy-2-methylhept-1-en-3-one
CID 116707899
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
5-methyl-N-(2-methylpropyl)hex-1-en-2-amine
CID 153336288
N-(2,2-diethoxyethyl)-2-methylpentanamide
CID 79547187
2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
CID 114470650
methyl 4-ethoxy-2-ethyl-3-oxoheptanoate
CID 116728005
(3S)-5-methyl-3-[(3-propylhex-1-en-2-ylamino)methyl]hexanoic acid
CID 155273791
3-hydroperoxy-2-methylhex-1-ene
CID 12949710
3-methoxy-2-methylhex-1-ene
CID 123417422
N-buta-1,3-dien-2-yl-2-methylpropan-1-amine
CID 139321589
2-ethoxy-N,N-diethylpentanimidamide
CID 116732421
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine?
The IUPAC name of 3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine (CID 134421720) is 3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine.
What is the SMILES notation for 3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine?
The canonical SMILES for 3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine is C=C(NCC(C)C)C(CCC)OCC.
What is the InChIKey of 3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine?
The InChIKey is HKOZURGJERRHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-8-12(14-7-2)11(5)13-9-10(3)4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine?
3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-methylpropyl)hex-1-en-2-amine is sourced from PubChem (CID 134421720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).