ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine

C15H33N — CID 144515600

IUPACethene;3-ethyl-3-methylpentane;pent-1-en-2-amine
SMILESC=C.C=C(N)CCC.CCC(C)(CC)CC
InChIInChI=1S/C8H18.C5H11N.C2H4/c1-5-8(4,6-2)7-3;1-3-4-5(2)6;1-2/h5-7H2,1-4H3;2-4,6H2,1H3;1-2H2
InChIKeySQQUQNIXLWOXRC-UHFFFAOYSA-N
MW227.44 g/mol
LogP5.28
Rot. Bonds5

About ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine

ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine (PubChem CID 144515600) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine.

Molecular Properties

Compound Nameethene;3-ethyl-3-methylpentane;pent-1-en-2-amine
PubChem CID144515600
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Nameethene;3-ethyl-3-methylpentane;pent-1-en-2-amine
SMILESC=C.C=C(N)CCC.CCC(C)(CC)CC
InChIInChI=1S/C8H18.C5H11N.C2H4/c1-5-8(4,6-2)7-3;1-3-4-5(2)6;1-2/h5-7H2,1-4H3;2-4,6H2,1H3;1-2H2
InChIKeySQQUQNIXLWOXRC-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-methylpentane;methanol
CID 143799596
ethane;3-ethyl-3-methylpentane
CID 158904304
ethane;hept-1-en-2-amine
CID 143133065
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
4,7-dimethylidenedecane
CID 543440
heptadec-1-en-2-amine;molecular hydrogen
CID 143986665
4,5-dimethylideneoctane
CID 13294231
2-methylbutan-2-ol;3-methylbut-3-en-1-ol
CID 87324008
N-tert-butyl-4-methylideneheptan-3-amine
CID 166838198
1-N,1-N-dimethylbut-3-ene-1,3-diamine
CID 143041369
3,3-dimethylbut-1-en-2-amine
CID 15393104
methane;hexakis(2-methylpent-1-ene)
CID 175346690

Frequently Asked Questions

What is the IUPAC name of ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine?
The IUPAC name of ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine (CID 144515600) is ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine.
What is the SMILES notation for ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine?
The canonical SMILES for ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine is C=C.C=C(N)CCC.CCC(C)(CC)CC.
What is the InChIKey of ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine?
The InChIKey is SQQUQNIXLWOXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C5H11N.C2H4/c1-5-8(4,6-2)7-3;1-3-4-5(2)6;1-2/h5-7H2,1-4H3;2-4,6H2,1H3;1-2H2.
What are the key properties of ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine?
ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine has a molecular weight of 227.44 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine is sourced from PubChem (CID 144515600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).