ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene

C24H47N3 — CID 143634173

IUPACethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene
SMILESC=CC.CC.CCNCC(CC)c1cc(C)ccc1N(C)CC.[H]/N=C/CC
InChIInChI=1S/C16H28N2.C3H7N.C3H6.C2H6/c1-6-14(12-17-7-2)15-11-13(4)9-10-16(15)18(5)8-3;1-2-3-4;1-3-2;1-2/h9-11,14,17H,6-8,12H2,1-5H3;3-4H,2H2,1H3;3H,1H2,2H3;1-2H3/b;4-3+;;
InChIKeyGZUZRDWKIAHDNN-NXZCPFRHSA-N
MW377.66 g/mol
LogP6.82
Rot. Bonds8

About ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene

ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene (PubChem CID 143634173) has the molecular formula C24H47N3 and a molecular weight of 377.66 g/mol. Its IUPAC name is ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene.

Molecular Properties

Compound Nameethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene
PubChem CID143634173
Molecular FormulaC24H47N3
Molecular Weight377.66 g/mol
Exact Mass377.38
IUPAC Nameethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene
SMILESC=CC.CC.CCNCC(CC)c1cc(C)ccc1N(C)CC.[H]/N=C/CC
InChIInChI=1S/C16H28N2.C3H7N.C3H6.C2H6/c1-6-14(12-17-7-2)15-11-13(4)9-10-16(15)18(5)8-3;1-2-3-4;1-3-2;1-2/h9-11,14,17H,6-8,12H2,1-5H3;3-4H,2H2,1H3;3H,1H2,2H3;1-2H3/b;4-3+;;
InChIKeyGZUZRDWKIAHDNN-NXZCPFRHSA-N
XLogP6.82
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.66
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene?
The IUPAC name of ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene (CID 143634173) is ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene.
What is the SMILES notation for ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene?
The canonical SMILES for ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene is C=CC.CC.CCNCC(CC)c1cc(C)ccc1N(C)CC.[H]/N=C/CC.
What is the InChIKey of ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene?
The InChIKey is GZUZRDWKIAHDNN-NXZCPFRHSA-N. The full InChI is InChI=1S/C16H28N2.C3H7N.C3H6.C2H6/c1-6-14(12-17-7-2)15-11-13(4)9-10-16(15)18(5)8-3;1-2-3-4;1-3-2;1-2/h9-11,14,17H,6-8,12H2,1-5H3;3-4H,2H2,1H3;3H,1H2,2H3;1-2H3/b;4-3+;;.
What are the key properties of ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene?
ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene has a molecular weight of 377.66 g/mol, XLogP of 6.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-[1-(ethylamino)butan-2-yl]-N,4-dimethylaniline;propan-1-imine;prop-1-ene is sourced from PubChem (CID 143634173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).