N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine

C8H18N2O — CID 144508936

IUPACN-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine
SMILESCCNCCCO/C=C\NC
InChIInChI=1S/C8H18N2O/c1-3-10-5-4-7-11-8-6-9-2/h6,8-10H,3-5,7H2,1-2H3/b8-6-
InChIKeyNFCYIQKJQRYXMM-VURMDHGXSA-N
MW158.25 g/mol
LogP0.69
Rot. Bonds7

About N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine

N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine (PubChem CID 144508936) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine
PubChem CID144508936
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine
SMILESCCNCCCO/C=C\NC
InChIInChI=1S/C8H18N2O/c1-3-10-5-4-7-11-8-6-9-2/h6,8-10H,3-5,7H2,1-2H3/b8-6-
InChIKeyNFCYIQKJQRYXMM-VURMDHGXSA-N
XLogP0.69
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(2-methoxyethoxy)-N-methylethenamine
CID 157071407
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
N,N'-diethylpentane-1,5-diamine
CID 15013244
3-(butylamino)propyl formate
CID 87316464
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
N-[3-(ethylamino)propoxy]-2-methylpropan-2-amine
CID 168883798
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
3-(ethylamino)propyl acetate
CID 88999125
2-(ethylamino)ethyl hypofluorite
CID 87274777
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
CID 57439365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine?
The IUPAC name of N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine (CID 144508936) is N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine?
The canonical SMILES for N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine is CCNCCCO/C=C\NC.
What is the InChIKey of N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine?
The InChIKey is NFCYIQKJQRYXMM-VURMDHGXSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-10-5-4-7-11-8-6-9-2/h6,8-10H,3-5,7H2,1-2H3/b8-6-.
What are the key properties of N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine?
N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine has a molecular weight of 158.25 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(Z)-2-(methylamino)ethenoxy]propan-1-amine is sourced from PubChem (CID 144508936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).