N-ethyl-N-prop-1-en-2-yloxybutan-1-amine

C9H19NO — CID 167223941

IUPACN-ethyl-N-prop-1-en-2-yloxybutan-1-amine
SMILESC=C(C)ON(CC)CCCC
InChIInChI=1S/C9H19NO/c1-5-7-8-10(6-2)11-9(3)4/h3,5-8H2,1-2,4H3
InChIKeyUUPVGOQNILNXFI-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.57
Rot. Bonds6

About N-ethyl-N-prop-1-en-2-yloxybutan-1-amine

N-ethyl-N-prop-1-en-2-yloxybutan-1-amine (PubChem CID 167223941) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-N-prop-1-en-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-prop-1-en-2-yloxybutan-1-amine
PubChem CID167223941
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-N-prop-1-en-2-yloxybutan-1-amine
SMILESC=C(C)ON(CC)CCCC
InChIInChI=1S/C9H19NO/c1-5-7-8-10(6-2)11-9(3)4/h3,5-8H2,1-2,4H3
InChIKeyUUPVGOQNILNXFI-UHFFFAOYSA-N
XLogP2.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 101037771
CID 101037771
3-[ethyl(2-methylprop-2-enoyloxy)amino]propane-1-sulfonic acid
CID 87146950
(dibutylamino) propanoate
CID 154448533
N-butyl-N-ethoxypentan-1-amine
CID 174575432
(dibutylamino) 2-methylbut-2-enoate
CID 174778974
N-butyl-N-ethoxydodecan-1-amine
CID 150955384
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
(dibutylamino) dihydrogen phosphate
CID 22117086
3-[ethoxy(ethyl)amino]propan-1-ol
CID 130124648
1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine
CID 90395287
N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide
CID 87504496
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-1-en-2-yloxybutan-1-amine?
The IUPAC name of N-ethyl-N-prop-1-en-2-yloxybutan-1-amine (CID 167223941) is N-ethyl-N-prop-1-en-2-yloxybutan-1-amine.
What is the SMILES notation for N-ethyl-N-prop-1-en-2-yloxybutan-1-amine?
The canonical SMILES for N-ethyl-N-prop-1-en-2-yloxybutan-1-amine is C=C(C)ON(CC)CCCC.
What is the InChIKey of N-ethyl-N-prop-1-en-2-yloxybutan-1-amine?
The InChIKey is UUPVGOQNILNXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7-8-10(6-2)11-9(3)4/h3,5-8H2,1-2,4H3.
What are the key properties of N-ethyl-N-prop-1-en-2-yloxybutan-1-amine?
N-ethyl-N-prop-1-en-2-yloxybutan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-1-en-2-yloxybutan-1-amine is sourced from PubChem (CID 167223941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).