ethane;N-prop-2-enylpent-4-en-1-amine

C10H21N — CID 144890480

IUPACethane;N-prop-2-enylpent-4-en-1-amine
SMILESC=CCCCNCC=C.CC
InChIInChI=1S/C8H15N.C2H6/c1-3-5-6-8-9-7-4-2;1-2/h3-4,9H,1-2,5-8H2;1-2H3
InChIKeyBTJUQMVTVBRMPI-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.75
Rot. Bonds6

About ethane;N-prop-2-enylpent-4-en-1-amine

ethane;N-prop-2-enylpent-4-en-1-amine (PubChem CID 144890480) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;N-prop-2-enylpent-4-en-1-amine.

Molecular Properties

Compound Nameethane;N-prop-2-enylpent-4-en-1-amine
PubChem CID144890480
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;N-prop-2-enylpent-4-en-1-amine
SMILESC=CCCCNCC=C.CC
InChIInChI=1S/C8H15N.C2H6/c1-3-5-6-8-9-7-4-2;1-2/h3-4,9H,1-2,5-8H2;1-2H3
InChIKeyBTJUQMVTVBRMPI-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
N-pent-4-enyloctan-1-amine
CID 79006791
N-prop-2-enyltridecan-1-amine
CID 22467882
N'-pent-4-enylbutane-1,4-diamine
CID 89325974
N-propylnon-8-en-1-amine
CID 107010151
5-(pent-4-enylamino)pentan-1-ol
CID 107317245
N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 87793604
5-chloro-4-methyl-N-prop-2-enylpentan-1-amine
CID 106153268
7-(prop-2-enylamino)heptan-1-ol
CID 87378145
hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine
CID 161132633
2-(pent-4-enylamino)ethanethiol
CID 71436009
5-(prop-2-enylamino)pentan-1-ol
CID 62228256

Frequently Asked Questions

What is the IUPAC name of ethane;N-prop-2-enylpent-4-en-1-amine?
The IUPAC name of ethane;N-prop-2-enylpent-4-en-1-amine (CID 144890480) is ethane;N-prop-2-enylpent-4-en-1-amine.
What is the SMILES notation for ethane;N-prop-2-enylpent-4-en-1-amine?
The canonical SMILES for ethane;N-prop-2-enylpent-4-en-1-amine is C=CCCCNCC=C.CC.
What is the InChIKey of ethane;N-prop-2-enylpent-4-en-1-amine?
The InChIKey is BTJUQMVTVBRMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-3-5-6-8-9-7-4-2;1-2/h3-4,9H,1-2,5-8H2;1-2H3.
What are the key properties of ethane;N-prop-2-enylpent-4-en-1-amine?
ethane;N-prop-2-enylpent-4-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-prop-2-enylpent-4-en-1-amine is sourced from PubChem (CID 144890480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).